| SpectraBase Spectrum ID |
ExzzPph61eZ |
| Name |
N-Octadecyl-3-(4-hydroxy-3-tert-butylphenyl) propionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.407295596 u |
| Formula |
C31H54O3 |
| InChI |
InChI=1S/C31H54O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(33)24-22-27-21-23-29(32)28(26-27)31(2,3)4/h21,23,26,32H,5-20,22,24-25H2,1-4H3 |
| InChIKey |
XFBPLFFEZVVMDA-UHFFFAOYSA-N |
| Molecular Weight |
474.770 g/mol |
| SMILES |
C(CCC1=CC(=C(C=C1)O)C(C)(C)C)(=O)OCCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949079 |
