| SpectraBase Compound ID | 6rbBJJEsfcP |
|---|---|
| InChI | InChI=1S/C9H10OS/c1-2-10-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | MNWSBFYOBQCIME-UHFFFAOYSA-N |
| Mol Weight | 166.24 g/mol |
| Molecular Formula | C9H10OS |
| Exact Mass | 166.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 95PDtF2qEr8 |
|---|---|
| Name | Benzenecarbothioic acid, o-ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.045236115 u |
| Formula | C9H10OS |
| InChI | InChI=1S/C9H10OS/c1-2-10-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | MNWSBFYOBQCIME-UHFFFAOYSA-N |
| Molecular Weight | 166.238 g/mol |
| SMILES | C(OCC)(=S)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855132 |