| SpectraBase Spectrum ID |
5RGAXgfqeAt |
| Name |
2-Benzoyl-5-(p-anisylthio)-3-phenyl-benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.139530423 u |
| Formula |
C29H24O4S |
| InChI |
InChI=1S/C29H24O4S/c1-32-23-15-13-20(14-16-23)19-34-24-17-25(21-9-5-3-6-10-21)27(26(18-24)29(31)33-2)28(30)22-11-7-4-8-12-22/h3-18H,19H2,1-2H3 |
| InChIKey |
QPKMDBALKWBLDS-UHFFFAOYSA-N |
| Molecular Weight |
468.567 g/mol |
| SMILES |
C=1(C(=C(C=C(C1)SCC=1C=CC(=CC1)OC)C(=O)OC)C(C=1C=CC=CC1)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93807 |
