| SpectraBase Spectrum ID |
A7kwUsrpJ3H |
| Name |
2,2-bis(Chloranyl)-1-phenyl-2-(phenylsulfinyl)ethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.993506198 u |
| Formula |
C14H12Cl2O2S |
| InChI |
InChI=1S/C14H12Cl2O2S/c15-14(16,13(17)11-7-3-1-4-8-11)19(18)12-9-5-2-6-10-12/h1-10,13,17H |
| InChIKey |
QWGHRIXPVDKYBN-UHFFFAOYSA-N |
| Molecular Weight |
315.214 g/mol |
| SMILES |
C(S(=O)C=1C=CC=CC1)(C(C1=CC=CC=C1)O)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897662 |
