| SpectraBase Spectrum ID |
1eG2YfqTXX9 |
| Name |
Benzoic acid, 4-tert-butyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.349780719 u |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-29-26(28)24-19-21-25(22-20-24)27(2,3)4/h19-22H,5-18,23H2,1-4H3 |
| InChIKey |
WORLJKXGDQDFSS-UHFFFAOYSA-N |
| Molecular Weight |
402.663 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885327 |
