| SpectraBase Compound ID | FvpgR4uexq1 |
|---|---|
| InChI | InChI=1S/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | XUDYHODVSUXRPW-UHFFFAOYSA-N |
| Mol Weight | 228.31 g/mol |
| Molecular Formula | C14H12OS |
| Exact Mass | 228.060886 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7RHcipJlFJy |
|---|---|
| Name | 4'-(Phenylthio)acetophenone |
| 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/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | XUDYHODVSUXRPW-UHFFFAOYSA-N |
| Molecular Weight | 228.309 g/mol |
| SMILES | C=1C(=CC=CC1)SC=1C=CC(=CC1)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.945967 |