| SpectraBase Spectrum ID |
111FEgZLtyI |
| Name |
Glutaric acid, 2-ethylphenyl propyl 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/c1-3-12-19-15(17)10-7-11-16(18)20-14-9-6-5-8-13(14)4-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3 |
| InChIKey |
BWVQKHPJGFYUSF-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
CCCOC(CCCC(OC1=CC=CC=C1CC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804731 |
