SpectraBase Spectrum ID |
HYMxx2FpzJb |
Name |
Glutaric acid, 3,4-dimethylphenyl ethyl 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/c1-4-18-14(16)6-5-7-15(17)19-13-9-8-11(2)12(3)10-13/h8-10H,4-7H2,1-3H3 |
InChIKey |
NXZDMVOKJCMOKV-UHFFFAOYSA-N |
Molecular Weight |
264.321 g/mol |
SMILES |
CC1=C(C)C=C(OC(=O)CCCC(OCC)=O)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884966 |