SpectraBase Spectrum ID |
GTBm6JzbFdD |
Name |
Glutaric acid, ethyl 5-methoxy-3-phenylpentyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
336.193673997 u |
Formula |
C19H28O5 |
InChI |
InChI=1S/C19H28O5/c1-3-23-18(20)10-7-11-19(21)24-15-13-17(12-14-22-2)16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3 |
InChIKey |
VNGWIWCEQXRDCG-UHFFFAOYSA-N |
Molecular Weight |
336.428 g/mol |
SMILES |
C1=CC=C(C=C1)C(CCOC)CCOC(CCCC(OCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964982 |