Das schwingungsspektrum des CH3OSO2Cl

Nagel, B.; Stark, Jeffrey G.; Fruwert, J.; Geiseler, G.

doi:10.1016/0584-8539(76)80169-9

Cited by 9 publications

(2 citation statements)

References 8 publications

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“…Absorption bands of the stretching mode of SO 2 have been reported to appear split 58,59 . In the spectra of deuterated compounds and structures which do not exhibit other significant absorption modes (i.e., FSO 2 F or ClOSO 2 F), the stretching bands of the SO 2 group were not split.…”

Section: Resultsmentioning

confidence: 96%

“…Only the band at Absorption bands of the stretching mode of SO 2 have been reported to appear split. 58,59 In the spectra of deuterated compounds and structures which do not exhibit other significant absorption modes (i.e., FSO 2 F or ClOSO 2 F), the stretching bands of the SO 2 group were not split. Still, they can instead be assigned to adjacent Thermosensitive groups like amides and esters can undergo thermal degradation in the injection port.…”

Section: Ir-spectroscopic Analysismentioning

confidence: 99%

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Structure elucidation of the novel synthetic cannabinoid Cumyl‐Tosyl‐Indazole‐3‐Carboxamide (Cumyl‐TsINACA) found in illicit products in Germany

Pulver

Schönberger

Weigel

et al. 2022

Drug Testing and Analysis

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New chemical moieties continue to appear in synthetic cannabimimetics (SC), the largest group of new psychoactive substances in the EU. We describe the first comprehensive characterisation of the novel SC Cumyl‐Tosyl‐Indazole‐3‐Carboxamide (Cumyl‐TsINACA) (N‐[2‐phenylpropan‐2‐yl]‐1‐tosyl‐1H‐indazole‐3‐carboxamide) from seized case samples. Structure elucidation was performed within the EU‐project ADEBAR plus to facilitate confident identification by other researchers and practitioners worldwide. Characteristic MS fragmentations include the cleavage of the sulfonamide bond (S‐N), the aryl sulfone bond (C‐S) and the elimination rearrangement of SO2 in the side chain. Cumyl‐TsINACA is a full receptor agonist at hCB1 (Emax = 228%) with very weak binding affinity (Ki = 292 nm) and low functional activity (EC50 = 31 μm). Thermal degradation of Cumyl‐TsINACA was observed under GC conditions. The degree to which the tosyl side chain is cleaved due to pyrolysis primarily depends on solvent, the use of glass wool in the liner and injector temperature. The determination of the constitution by NMR spectroscopy was ambiguous due to the high number of neighbouring, non‐proton‐bearing atoms. Therefore, other possible structures compatible with the NMR correlations were generated using the WebCocon software. The unambiguous structural evidence was finally obtained by spectra comparison after the synthesis of Cumyl‐TsINACA. The low thermal stability, as well as the low affinity and potency, renders this compound unfavourable for the use as a psychoactive substance. Thus, we do not expect widespread adoption of this SC.

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Section: Resultsmentioning

confidence: 96%

Section: Ir-spectroscopic Analysismentioning

confidence: 99%

Structure elucidation of the novel synthetic cannabinoid Cumyl‐Tosyl‐Indazole‐3‐Carboxamide (Cumyl‐TsINACA) found in illicit products in Germany

Pulver

Schönberger

Weigel

et al. 2022

Drug Testing and Analysis

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Spectres Raman d'un Monocristal de As₂O₃, SO₃ et Calcul du Champ de Force

Mercier

Sourisseau

Lucazeau

1977

J Raman Spectroscopy

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The polarized Raman spectra of a single crystal of As203, SO,, along with the infrared spectra of this compound in the polycrystalline state have been investigated at 30 K and 300 K in the 20-4000 em-' range. The dependance of the frequency shift of polar vibrations with the geometry of the Raman experiments has also been studied. An assignment in terms of symmetry species is proposed for 49 of the 51 expected active modes. A normal coordinate calculation using a valence force field has been performed for the principal vibrations (k =0) of the crystal. The good agreement between observed and calculated frequencies shows that long range forces are negligible compared to internal valence forces. There are two different S -0 bonds characterized by stretching forcf constants of 9.1 and 5.2 mdyn A-1 and S -0 bond lengths have been estimated equal to 1.44 and 1.56 A respectively, by using an empirical correlation. The As-0 stretchingforce constaFts of the -0 -A s -O -A s~~~ chains and of the bonds linking As and SO4 groups are similar: 2.0 and 1.9 mdyn A-' respectively. Therefore the crystal is not an ionic sulphate compound.

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