| SpectraBase Compound ID | GhbFwj9r13D |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | CHFNTLOTIFQVGQ-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AFdjhH0KPwX |
|---|---|
| Name | 2-(isopropylthio)benzoic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | CHFNTLOTIFQVGQ-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 196.264 g/mol |
| SMILES | OC(c1c(SC(C)C)cccc1)=O |
| SPLASH | splash10-000i-1900000000-723e6a83115f5b4b2910 |
| Source of Spectrum | US8183382B2 |
| Wiley ID | 1845237 |