| SpectraBase Spectrum ID |
AfWwvXFBMJf |
| Name |
Ethyl 2-[(m-methyl-o-methoxycarbonylmethyl)phenyl]-2-(phenylthio)acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.123880358 u |
| Formula |
C20H22O4S |
| InChI |
InChI=1S/C20H22O4S/c1-4-24-20(22)19(25-16-8-6-5-7-9-16)17-12-14(2)10-11-15(17)13-18(21)23-3/h5-12,19H,4,13H2,1-3H3 |
| InChIKey |
BHJVKPQZLJGQJJ-UHFFFAOYSA-N |
| Molecular Weight |
358.452 g/mol |
| SMILES |
C=1C=C(CC(OC)=O)C(=CC1C)C(SC1=CC=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826521 |
![Ethyl 2-[(m-methyl-o-methoxycarbonylmethyl)phenyl]-2-(phenylthio)acetate](/api/spectrum/AfWwvXFBMJf/structure.png?h=300&w=458 "Ethyl 2-[(m-methyl-o-methoxycarbonylmethyl)phenyl]-2-(phenylthio)acetate")
