| SpectraBase Spectrum ID |
8voVxeOQiNH |
| Name |
Ethyl 2-(benzylthio)-2-[(o-methoxycarbonylmethyl)phenyl]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/c1-3-24-20(22)19(25-14-15-9-5-4-6-10-15)17-12-8-7-11-16(17)13-18(21)23-2/h4-12,19H,3,13-14H2,1-2H3 |
| InChIKey |
IAQGEZBENAYJBT-UHFFFAOYSA-N |
| Molecular Weight |
358.452 g/mol |
| SMILES |
C=1C=C(CC(OC)=O)C(=CC1)C(SCC1=CC=CC=C1)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919901 |
![Ethyl 2-(benzylthio)-2-[(o-methoxycarbonylmethyl)phenyl]acetate](/api/spectrum/8voVxeOQiNH/structure.png?h=300&w=458 "Ethyl 2-(benzylthio)-2-[(o-methoxycarbonylmethyl)phenyl]acetate")
