| SpectraBase Spectrum ID |
FIlE0UjdPKd |
| Name |
Adipic acid, 2,5-dimethylphenyl ethyl 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/c1-4-19-15(17)7-5-6-8-16(18)20-14-11-12(2)9-10-13(14)3/h9-11H,4-8H2,1-3H3 |
| InChIKey |
DQKOFKPIYMHZSA-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(CC(=O)OC=1C(C)=CC=C(C)C1)CCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889058 |
