| SpectraBase Compound ID | Eu3cEqz6UpX |
|---|---|
| InChI | InChI=1S/C9H10OS/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3 |
| InChIKey | NEVMSQGKIHMDNC-UHFFFAOYSA-N |
| Mol Weight | 166.24 g/mol |
| Molecular Formula | C9H10OS |
| Exact Mass | 166.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | In762nkoPcF |
|---|---|
| Name | 3-Methylbenzenethiol, S-acetyl- |
| 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/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3 |
| InChIKey | NEVMSQGKIHMDNC-UHFFFAOYSA-N |
| Molecular Weight | 166.238 g/mol |
| SMILES | C1=C(C=CC=C1SC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830187 |