| SpectraBase Spectrum ID |
16pbfLBTXKq |
| Name |
Benzoic acid, 4-tert-butyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.381080848 u |
| Formula |
C29H50O2 |
| InChI |
InChI=1S/C29H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-28(30)26-21-23-27(24-22-26)29(2,3)4/h21-24H,5-20,25H2,1-4H3 |
| InChIKey |
LOEGNUHLVGAMMW-UHFFFAOYSA-N |
| Molecular Weight |
430.717 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87927 |
