| SpectraBase Spectrum ID |
L5SwYAPthyd |
| Name |
Glutaric acid, 1-phenylethyl 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)20-13(2)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3 |
| InChIKey |
UFYCTILZYFNLMH-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(OC(C)C1=CC=CC=C1)(=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893034 |
