SpectraBase Spectrum ID |
1lXNs4qLHG8 |
Name |
Glutaric acid, ethyl 1-phenylethyl 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/c1-3-18-14(16)10-7-11-15(17)19-12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3 |
InChIKey |
CTQWYVMHBOPPCN-UHFFFAOYSA-N |
Molecular Weight |
264.321 g/mol |
SMILES |
C(OC(C)C1=CC=CC=C1)(=O)CCCC(OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955151 |