| SpectraBase Spectrum ID |
BmYLqVbUF3T |
| Name |
beta-Tocopherol TFA |
| Classification |
Vitamin derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
512.347729859 u |
| Formula |
C30H47F3O3 |
| InChI |
InChI=1S/C30H47F3O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-24(6)26(19-23(5)27(25)36-29)35-28(34)30(31,32)33/h19-22H,8-18H2,1-7H3/t21-,22-,29-/m1/s1 |
| InChIKey |
BXRREPKFSOBBEK-IEOSBIPESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
512.698 g/mol |
| Nominal Mass |
512 u |
| Quality |
983 |
| Retention Index |
3684 |
| SMILES |
C=12C(O[C@@](CC2)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)=C(C=C(C1C)OC(C(F)(F)F)=O)C |
| SPLASH |
splash10-01ot-6491030000-368722cdc8e4c63a62df |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028402 |
