| SpectraBase Spectrum ID |
CWUQPJlPzbc |
| Name |
Succinic acid, 3-methylbenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-3-9-18-14(16)7-8-15(17)19-11-13-6-4-5-12(2)10-13/h4-6,10H,3,7-9,11H2,1-2H3 |
| InChIKey |
PPQBZHCNLSORKS-UHFFFAOYSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
C(OC(=O)CCC(OCCC)=O)C=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942327 |
