| SpectraBase Spectrum ID |
INsBAJpN7T0 |
| Name |
4-Butylbenzoic acid, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.240230268 u |
| Formula |
C20H32O2 |
| InChI |
InChI=1S/C20H32O2/c1-3-5-7-8-9-10-11-17-22-20(21)19-15-13-18(14-16-19)12-6-4-2/h13-16H,3-12,17H2,1-2H3 |
| InChIKey |
XKLMVDBBEMBEFD-UHFFFAOYSA-N |
| Molecular Weight |
304.474 g/mol |
| SMILES |
C(OCCCCCCCCC)(=O)C1=CC=C(CCCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935835 |
