| SpectraBase Spectrum ID |
Jv5IB9fqahc |
| Name |
Adipic acid, ethyl 2-ethylphenyl 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/c1-3-13-9-5-6-10-14(13)20-16(18)12-8-7-11-15(17)19-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3 |
| InChIKey |
YNELMXBMRFAJHA-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(CCC(OC=1C(CC)=CC=CC1)=O)CC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883683 |
