| SpectraBase Spectrum ID |
G1djfuEjWnq |
| Name |
5-Phenylvaleric acid, 4-methyl-2-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.193280075 u |
| Formula |
C17H26O2 |
| InChI |
InChI=1S/C17H26O2/c1-14(2)13-15(3)19-17(18)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3 |
| InChIKey |
DVBANFVLFAZSGD-UHFFFAOYSA-N |
| Molecular Weight |
262.393 g/mol |
| SMILES |
C(CCC(OC(CC(C)C)C)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897417 |
