| SpectraBase Spectrum ID |
LPNHcSrzCtk |
| Name |
Glutaric acid, 5-methoxy-3-phenylpentyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.209324061 u |
| Formula |
C20H30O5 |
| InChI |
InChI=1S/C20H30O5/c1-3-14-24-19(21)10-7-11-20(22)25-16-13-18(12-15-23-2)17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3 |
| InChIKey |
JYMZUZJYEGZSOJ-UHFFFAOYSA-N |
| Molecular Weight |
350.455 g/mol |
| SMILES |
COCCC(CCOC(CCCC(OCCC)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93667 |
