| SpectraBase Spectrum ID |
A4q90599Rbj |
| Name |
Glutaric acid, 2-methoxybenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.146723803 u |
| Formula |
C16H22O5 |
| InChI |
InChI=1S/C16H22O5/c1-3-11-20-15(17)9-6-10-16(18)21-12-13-7-4-5-8-14(13)19-2/h4-5,7-8H,3,6,9-12H2,1-2H3 |
| InChIKey |
GZTRRNSOISTGLH-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
C(OCC=1C(OC)=CC=CC1)(=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844081 |
