| SpectraBase Spectrum ID |
FRaXQtfREuS |
| Name |
Pentanoic acid, 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3 |
| InChIKey |
OKFJJLRWQHMYCM-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C1(=CC=CC=C1)CCCOC(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960673 |
