| SpectraBase Spectrum ID |
GXKzsuc7yeu |
| Name |
alpha-Tocopherol acetate |
| CAS Registry Number |
58-95-7 |
| Classification |
Vitamin E activity |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
472.754 g/mol |
| Nominal Mass |
472 u |
| Quality |
994 |
| Retention Index |
3161 |
| SMILES |
C1=2C(=C(C(=C(C2C)OC(=O)C)C)C)O[C@@](CC1)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C |
| SPLASH |
splash10-001i-5820900000-6a104910a87eb93603c9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Tocopherol acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007489 |
