| SpectraBase Compound ID | HzuvEbzjYlm |
|---|---|
| InChI | InChI=1S/C10H11NO2S/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h2-6,8H,7H2,1H3/b3-2+ |
| InChIKey | KBSOPYBIGRVQSP-NSCUHMNNSA-N |
| Mol Weight | 209.26 g/mol |
| Molecular Formula | C10H11NO2S |
| Exact Mass | 209.05105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2O4GnhJhfC7 |
|---|---|
| Name | Crotyl m-nitrophenyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.051049770 u |
| Formula | C10H11NO2S |
| InChI | InChI=1S/C10H11NO2S/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h2-6,8H,7H2,1H3/b3-2+ |
| InChIKey | KBSOPYBIGRVQSP-NSCUHMNNSA-N |
| Molecular Weight | 209.263 g/mol |
| SMILES | C=1(SC\C=C\C)C=C(C=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933983 |