![Benzaldehyde, 2-[(phenylmethyl)thio]-; benzaldehyde, o-(benzylthio)-](/api/spectrum/IokZ9dSGFPn/structure.png?h=300&w=458 "Benzaldehyde, 2-[(phenylmethyl)thio]-; benzaldehyde, o-(benzylthio)-")
| SpectraBase Compound ID | CK060UEA6Bw |
|---|---|
| InChI | InChI=1S/C14H12OS/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-10H,11H2 |
| InChIKey | SWVKTJBDZNJLDT-UHFFFAOYSA-N |
| Mol Weight | 228.31 g/mol |
| Molecular Formula | C14H12OS |
| Exact Mass | 228.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IokZ9dSGFPn |
|---|---|
| Name | Benzaldehyde, 2-[(phenylmethyl)thio]-; benzaldehyde, o-(benzylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.060886179 u |
| Formula | C14H12OS |
| InChI | InChI=1S/C14H12OS/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-10H,11H2 |
| InChIKey | SWVKTJBDZNJLDT-UHFFFAOYSA-N |
| Molecular Weight | 228.309 g/mol |
| SMILES | C1(=C(C=CC=C1)SCC1=CC=CC=C1)C=O |