| SpectraBase Compound ID | 70Nl9rO3Pga |
|---|---|
| InChI | InChI=1S/C10H12O2S/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) |
| InChIKey | HHZVQLOVHIDMBD-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1wfLmfjZD74 |
|---|---|
| Name | 4-(Phenylthio)butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) |
| InChIKey | HHZVQLOVHIDMBD-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C1=C(C=CC=C1)SCCCC(O)=O |