| SpectraBase Spectrum ID |
KkN9lUbzceZ |
| Name |
dl-alpha-Tocopherol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.391645531 u |
| Formula |
C31H52O3 |
| InChI |
InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1 |
| InChIKey |
ZAKOWWREFLAJOT-CEFNRUSXSA-N |
| Molecular Weight |
472.754 g/mol |
| SMILES |
C=12C(=C(C(=C(C1CC[C@](O2)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C)OC(C)=O)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.938015 |
