| SpectraBase Spectrum ID |
B7YcuGjxGiy |
| Name |
Glutaric acid, 4-methylbenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-3-11-19-15(17)5-4-6-16(18)20-12-14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey |
IPIHJLUZIHQRCN-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839916 |
