| SpectraBase Spectrum ID |
FRRHCDn0lBd |
| Name |
4-Ethylbenzoic acid, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.208930140 u |
| Formula |
C18H28O2 |
| InChI |
InChI=1S/C18H28O2/c1-3-5-6-7-8-9-10-15-20-18(19)17-13-11-16(4-2)12-14-17/h11-14H,3-10,15H2,1-2H3 |
| InChIKey |
KIRYMGVAUXIGQJ-UHFFFAOYSA-N |
| Molecular Weight |
276.420 g/mol |
| SMILES |
C(OCCCCCCCCC)(=O)C1=CC=C(CC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954414 |
