| SpectraBase Spectrum ID |
3GNnx8XSXo5 |
| Name |
Benzaldehyde, 2-[(phenylmethyl)thio]-; benzaldehyde, o-(benzylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Raman) |
0.751098 |
![Benzaldehyde, 2-[(phenylmethyl)thio]-; benzaldehyde, o-(benzylthio)-](/api/spectrum/3GNnx8XSXo5/structure.png?h=300&w=458 "Benzaldehyde, 2-[(phenylmethyl)thio]-; benzaldehyde, o-(benzylthio)-")
