| SpectraBase Spectrum ID |
EhnBtMy0wUN |
| Name |
Benzoic acid, 4-tert-butyl-, dodecyl 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/c1-5-6-7-8-9-10-11-12-13-14-19-25-22(24)20-15-17-21(18-16-20)23(2,3)4/h15-18H,5-14,19H2,1-4H3 |
| InChIKey |
RHDUFQGLFNMALK-UHFFFAOYSA-N |
| Molecular Weight |
346.555 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92262 |
