| SpectraBase Spectrum ID |
K8L5USiqOux |
| Name |
Benzenecarbothioic acid, S-(3-cyano-2-propenyl) ester, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.040485087 u |
| Formula |
C11H9NOS |
| InChI |
InChI=1S/C11H9NOS/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-7H,9H2/b5-4+ |
| InChIKey |
JPULUUTXQBONNH-SNAWJCMRSA-N |
| Molecular Weight |
203.259 g/mol |
| SMILES |
C(#N)\C=C\CSC(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922538 |
