| SpectraBase Spectrum ID |
AzuDjyFE9qu |
| Name |
Succinic acid, ethyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-3-16-12(14)8-9-13(15)17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3 |
| InChIKey |
MKTOWEXZLKTJPS-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C(CCC(OC=1C(C)=CC=CC1)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941011 |
