| SpectraBase Spectrum ID |
ur1jOazKyc |
| Name |
Succinic acid, ethyl 3-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-3-17-13(15)7-8-14(16)18-10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3 |
| InChIKey |
OBNXSNFGQMLMLS-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C(OC(=O)CCC(OCC)=O)C=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902431 |
