| SpectraBase Spectrum ID |
KIiQdF0Mcxu |
| Name |
2-Benzoyl-3-methyl-5-(phenylmethylthio)benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.113315675 u |
| Formula |
C23H20O3S |
| InChI |
InChI=1S/C23H20O3S/c1-16-13-19(27-15-17-9-5-3-6-10-17)14-20(23(25)26-2)21(16)22(24)18-11-7-4-8-12-18/h3-14H,15H2,1-2H3 |
| InChIKey |
YNEWFAHBXPMWKS-UHFFFAOYSA-N |
| Molecular Weight |
376.470 g/mol |
| SMILES |
C(C=1C(=C(C=C(C1)SCC=1C=CC=CC1)C)C(C=1C=CC=CC1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942683 |
