| SpectraBase Spectrum ID |
uyVMH9zDXj |
| Name |
2-Benzoyl-3,4-dimethyl-5-(p-anisylthio)benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.139530423 u |
| Formula |
C25H24O4S |
| InChI |
InChI=1S/C25H24O4S/c1-16-17(2)23(24(26)19-8-6-5-7-9-19)21(25(27)29-4)14-22(16)30-15-18-10-12-20(28-3)13-11-18/h5-14H,15H2,1-4H3 |
| InChIKey |
NPUKXWQBGUQSIT-UHFFFAOYSA-N |
| Molecular Weight |
420.523 g/mol |
| SMILES |
C(C=1C(=C(C(=C(C1)SCC=1C=CC(=CC1)OC)C)C)C(C=1C=CC=CC1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950007 |
