| SpectraBase Spectrum ID |
8JvaZ2gIi7E |
| Name |
Tocopherol |
| CAS Registry Number |
119-13-1 |
| Classification |
Vitamin |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
430.381080848 u |
| Formula |
C29H50O2 |
| InChI |
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 |
| InChIKey |
GVJHHUAWPYXKBD-IEOSBIPESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
430.717 g/mol |
| Nominal Mass |
430 u |
| Quality |
993 |
| Retention Index |
3134 |
| SMILES |
OC=1C(=C2C(=C(C1C)C)O[C@@](CC2)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C |
| SPLASH |
splash10-0159-4910200000-9fbe08de42f46549d6fb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032658 |
