| SpectraBase Compound ID | 9kO2NEPGUzE |
|---|---|
| InChI | InChI=1S/C5H3ClN2O2S/c6-11-5-4(8(9)10)2-1-3-7-5/h1-3H |
| InChIKey | WTKQMHWYSBWUBE-UHFFFAOYSA-N |
| Mol Weight | 190.6 g/mol |
| Molecular Formula | C5H3ClN2O2S |
| Exact Mass | 189.960376 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | m3DHISsICm |
|---|---|
| Name | 3-Nitro-2-pyridinesulfenyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.960376217 u |
| Formula | C5H3ClN2O2S |
| InChI | InChI=1S/C5H3ClN2O2S/c6-11-5-4(8(9)10)2-1-3-7-5/h1-3H |
| InChIKey | WTKQMHWYSBWUBE-UHFFFAOYSA-N |
| Molecular Weight | 190.604 g/mol |
| SMILES | C1([N+](=O)[O-])=C(N=CC=C1)SCl |
| Spectrum/Structure Validation Score (Raman) | 0.951428 |