| SpectraBase Spectrum ID |
7Kpj68o85vD |
| Name |
4,4'-bis(.alpha.-Benzylideneacetyl)diphenyl sulphide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.134051120 u |
| Formula |
C30H22O2S |
| InChI |
InChI=1S/C30H22O2S/c31-29(21-11-23-7-3-1-4-8-23)25-13-17-27(18-14-25)33-28-19-15-26(16-20-28)30(32)22-12-24-9-5-2-6-10-24/h1-22H/b21-11+,22-12+ |
| InChIKey |
PSCPWMHOZNZDSO-XHQRYOPUSA-N |
| Molecular Weight |
446.564 g/mol |
| SMILES |
C=1(SC=2C=CC(=CC2)C(=O)\C=C\C=2C=CC=CC2)C=CC(=CC1)C(=O)\C=C\C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967809 |
