| SpectraBase Spectrum ID |
EpbvIBHWTQ0 |
| Name |
Glutaric acid, 3-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/c1-3-11-19-15(17)9-6-10-16(18)20-14-8-5-7-13(4-2)12-14/h5,7-8,12H,3-4,6,9-11H2,1-2H3 |
| InChIKey |
MNHSRSDPTXOTRF-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
CCCOC(CCCC(OC1=CC=CC(=C1)CC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877761 |
