| SpectraBase Compound ID | K3ZcxQh8DhW |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| InChIKey | MNTQKBRBPNZLPM-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 | EUOp93HRrXR |
|---|---|
| Name | 2-(Propylthio)benzoic 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/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| InChIKey | MNTQKBRBPNZLPM-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C=1(C(=O)O)C(SCCC)=CC=CC1 |