| SpectraBase Compound ID | hZ0qVdwmDv |
|---|---|
| InChI | InChI=1S/C10H12OS/c1-3-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | QCOJPGJASADAIQ-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 | CiefzE7B50q |
|---|---|
| Name | Propanethioic acid S-(4-methylphenyl) 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/c1-3-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | QCOJPGJASADAIQ-UHFFFAOYSA-N |
| Molecular Weight | 180.265 g/mol |
| SMILES | C(SC=1C=CC(=CC1)C)(=O)CC |