| SpectraBase Spectrum ID |
CMhFCeyfHRp |
| Name |
Methyl 4-methyl-5-(2-chloroethyl)-2-(3-methoxyphenylsulfanyl)-6-phenylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.105643472 u |
| Formula |
C24H23ClO3S |
| InChI |
InChI=1S/C24H23ClO3S/c1-16-14-21(29-19-11-7-10-18(15-19)27-2)23(24(26)28-3)22(20(16)12-13-25)17-8-5-4-6-9-17/h4-11,14-15H,12-13H2,1-3H3 |
| InChIKey |
LMZSDHLKIGPJQI-UHFFFAOYSA-N |
| Molecular Weight |
426.958 g/mol |
| SMILES |
C1(=C(C(CCCl)=C(C=C1SC=1C=C(OC)C=CC1)C)C=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88337 |
