| SpectraBase Spectrum ID |
En99gyApIJC |
| Name |
4H-Thiopyran, 4-(diphenylmethylene)-2,6-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.144221882 u |
| Formula |
C30H22S |
| InChI |
InChI=1S/C30H22S/c1-5-13-23(14-6-1)28-21-27(22-29(31-28)24-15-7-2-8-16-24)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H |
| InChIKey |
OMMGJDOTJWOLBY-UHFFFAOYSA-N |
| Molecular Weight |
414.566 g/mol |
| SMILES |
C=1(SC(=CC(C1)=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936795 |
