| SpectraBase Spectrum ID |
Hx97eWCX5OS |
| Name |
2-Benzoyl-3-methyl-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 |
406.123880358 u |
| Formula |
C24H22O4S |
| InChI |
InChI=1S/C24H22O4S/c1-16-13-20(29-15-17-9-11-19(27-2)12-10-17)14-21(24(26)28-3)22(16)23(25)18-7-5-4-6-8-18/h4-14H,15H2,1-3H3 |
| InChIKey |
NOSKHQMOCZODRW-UHFFFAOYSA-N |
| Molecular Weight |
406.496 g/mol |
| SMILES |
C(C=1C(=C(C=C(C1)SCC=1C=CC(=CC1)OC)C)C(C=1C=CC=CC1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868445 |
