| SpectraBase Compound ID | NES4BWxtRb |
|---|---|
| InChI | InChI=1S/C7H8OS/c8-6-9-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | UKLQUFQGBTZEMZ-UHFFFAOYSA-N |
| Mol Weight | 140.2 g/mol |
| Molecular Formula | C7H8OS |
| Exact Mass | 140.029586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KogmuvKwycm |
|---|---|
| Name | Phenylthiomethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.029586051 u |
| Formula | C7H8OS |
| InChI | InChI=1S/C7H8OS/c8-6-9-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | UKLQUFQGBTZEMZ-UHFFFAOYSA-N |
| SMILES | C(O)SC=1C=CC=CC1 |