| SpectraBase Compound ID | 1eav3FlM2Go |
|---|---|
| InChI | InChI=1S/C13H12S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H |
| InChIKey | ORKZATPRQQSLDT-UHFFFAOYSA-N |
| Mol Weight | 200.3 g/mol |
| Molecular Formula | C13H12S |
| Exact Mass | 200.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzDxFRmtISZ |
|---|---|
| Name | Benzenemethanethiol, .alpha.-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.065971560 u |
| Formula | C13H12S |
| InChI | InChI=1S/C13H12S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H |
| InChIKey | ORKZATPRQQSLDT-UHFFFAOYSA-N |
| Molecular Weight | 200.299 g/mol |
| SMILES | C(S)(C1=CC=CC=C1)C1=CC=CC=C1 |