SpectraBase Spectrum ID |
AIn2HkQkqSm |
Name |
Glutaric acid, ethyl 3-phenoxybenzyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
342.146723803 u |
Formula |
C20H22O5 |
InChI |
InChI=1S/C20H22O5/c1-2-23-19(21)12-7-13-20(22)24-15-16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-6,8-11,14H,2,7,12-13,15H2,1H3 |
InChIKey |
GVTPFKPAQCHDOP-UHFFFAOYSA-N |
Molecular Weight |
342.391 g/mol |
SMILES |
C(OCC1=CC(=CC=C1)OC1=CC=CC=C1)(=O)CCCC(OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938786 |