| SpectraBase Spectrum ID |
K75Whrpy0Bg |
| Name |
1-Chloro-1-(o-phenoxyphenyl)-2-phenyl-2-(phenylthio)ethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.084514105 u |
| Formula |
C26H19ClOS |
| InChI |
InChI=1S/C26H19ClOS/c27-25(23-18-10-11-19-24(23)28-21-14-6-2-7-15-21)26(20-12-4-1-5-13-20)29-22-16-8-3-9-17-22/h1-19H/b26-25+ |
| InChIKey |
SIWYTGBSFJQBTK-OCEACIFDSA-N |
| Molecular Weight |
414.950 g/mol |
| SMILES |
C1(S\C(=C/(C=2C(OC3=CC=CC=C3)=CC=CC2)Cl)C2=CC=CC=C2)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93452 |
