| SpectraBase Spectrum ID |
6jxji96g7p5 |
| Name |
3,3,4-Triphenyl-5,6-dihydrobenzo(H)thiochroman-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.154786566 u |
| Formula |
C31H24OS |
| InChI |
InChI=1S/C31H24OS/c32-30-31(24-15-6-2-7-16-24,25-17-8-3-9-18-25)28(23-13-4-1-5-14-23)27-21-20-22-12-10-11-19-26(22)29(27)33-30/h1-19,28H,20-21H2 |
| InChIKey |
TZNNXBDXVLLRKI-UHFFFAOYSA-N |
| Molecular Weight |
444.592 g/mol |
| SMILES |
C12=C(C(C=3C=CC=CC3)C(C(S1)=O)(C1=CC=CC=C1)C=1C=CC=CC1)CCC=1C2=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923972 |
