| SpectraBase Spectrum ID |
Be7sFzkjUmb |
| Name |
Adipic acid, 2,5-dimethylphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-4-11-20-16(18)7-5-6-8-17(19)21-15-12-13(2)9-10-14(15)3/h9-10,12H,4-8,11H2,1-3H3 |
| InChIKey |
GNIPOSNSGAUYSJ-UHFFFAOYSA-N |
| SMILES |
C(=O)(CCCCC(OCCC)=O)OC1=C(C=CC(=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841352 |
