| SpectraBase Spectrum ID |
3xvmuNJx2Zk |
| Name |
4-Butylbenzoic acid, 2-tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.302830526 u |
| Formula |
C24H40O2 |
| InChI |
InChI=1S/C24H40O2/c1-4-6-8-9-10-11-12-13-14-15-21(3)26-24(25)23-19-17-22(18-20-23)16-7-5-2/h17-21H,4-16H2,1-3H3 |
| InChIKey |
SIKOUVHMDJVUAZ-UHFFFAOYSA-N |
| Molecular Weight |
360.582 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OC(CCCCCCCCCCC)C)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867027 |
