| SpectraBase Spectrum ID |
5jezB2LvgK3 |
| Name |
Glutaric acid, 3-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/c1-3-10-20-15(17)8-5-9-16(18)21-12-13-6-4-7-14(11-13)19-2/h4,6-7,11H,3,5,8-10,12H2,1-2H3 |
| InChIKey |
WNKNDZHVCFHTAW-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
C(OCC1=CC=CC(OC)=C1)(=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893311 |
