| SpectraBase Spectrum ID |
7ioCLY1ozAp |
| Name |
Glutaric acid, di(3-methylbenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-16-6-3-8-18(12-16)14-24-20(22)10-5-11-21(23)25-15-19-9-4-7-17(2)13-19/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3 |
| InChIKey |
JPVAVXIJQUCDOP-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C(OCC1=CC(=CC=C1)C)(=O)CCCC(OCC1=CC(C)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96501 |
