| SpectraBase Compound ID | LGeuLWnOvC1 |
|---|---|
| InChI | InChI=1S/C10H12OS/c1-8(2)11-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | OFQATSAAJVPVQK-UHFFFAOYSA-N |
| Mol Weight | 180.26 g/mol |
| Molecular Formula | C10H12OS |
| Exact Mass | 180.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BoYDBsX7jhn |
|---|---|
| Name | Benzenecarbothioic acid o-propan-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.060886179 u |
| Formula | C10H12OS |
| InChI | InChI=1S/C10H12OS/c1-8(2)11-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | OFQATSAAJVPVQK-UHFFFAOYSA-N |
| Molecular Weight | 180.265 g/mol |
| SMILES | C(OC(C)C)(=S)C1=CC=CC=C1 |