| SpectraBase Spectrum ID |
BM0JgFJoVtJ |
| Name |
Succinic acid, ethyl 3-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)7-8-13(15)17-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3 |
| InChIKey |
IPVVWBUVAVBYNL-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
CC1=CC(OC(CCC(=O)OCC)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839048 |
