| SpectraBase Spectrum ID |
61T9w9wfNRb |
| Name |
Benzoic acid, 4-propyl-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.287180462 u |
| Formula |
C23H38O2 |
| InChI |
InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-20-25-23(24)22-18-16-21(15-4-2)17-19-22/h16-19H,3-15,20H2,1-2H3 |
| InChIKey |
GOUKLEFMWJTHNA-UHFFFAOYSA-N |
| Molecular Weight |
346.555 g/mol |
| SMILES |
C(OCCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897955 |
