| SpectraBase Spectrum ID |
7G64Hr0Akim |
| Name |
Adipic acid, ethyl 2-isopropylphenyl 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/c1-4-20-16(18)11-7-8-12-17(19)21-15-10-6-5-9-14(15)13(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3 |
| InChIKey |
IALPVCHWMILVEV-UHFFFAOYSA-N |
| SMILES |
CC(C)C1=CC=CC=C1OC(=O)CCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809715 |
