| SpectraBase Spectrum ID |
FI0JOBFnxUL |
| Name |
Benzenepropanoic acid, 6-ethyl-3-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.224580204 u |
| Formula |
C19H30O2 |
| InChI |
InChI=1S/C19H30O2/c1-4-16(5-2)12-14-18(6-3)21-19(20)15-13-17-10-8-7-9-11-17/h7-11,16,18H,4-6,12-15H2,1-3H3 |
| InChIKey |
HHOWXWFHSYSHCG-UHFFFAOYSA-N |
| SMILES |
C1=CC(CCC(OC(CC)CCC(CC)CC)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923045 |
