| SpectraBase Compound ID | FPNvzKE45GK |
|---|---|
| InChI | InChI=1S/C9H9NO2S/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3/b9-7+ |
| InChIKey | SCKMNHDMQZYBDW-VQHVLOKHSA-N |
| Mol Weight | 195.24 g/mol |
| Molecular Formula | C9H9NO2S |
| Exact Mass | 195.0354 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 93ZCmmM5EXX |
|---|---|
| Name | 1-Methylthio-1-phenyl-2-nitroethylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.035399706 u |
| Formula | C9H9NO2S |
| InChI | InChI=1S/C9H9NO2S/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3/b9-7+ |
| InChIKey | SCKMNHDMQZYBDW-VQHVLOKHSA-N |
| SMILES | C1(\C(=C/N(=O)=O)SC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919404 |