| SpectraBase Spectrum ID |
CgDMMxaPyEd |
| Name |
Adipic acid, ethyl 2-phenylethyl 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/c1-2-19-15(17)10-6-7-11-16(18)20-13-12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3 |
| InChIKey |
SIUOLRQROPIBGH-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(=O)(CCCCC(OCC)=O)OCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900559 |
