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Beta-Tocopherol
SpectraBase Compound ID FS2zRt2Yc6U
InChI InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
InChIKey WGVKWNUPNGFDFJ-DQCZWYHMSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DputDAvKgsk
Name Beta-Tocopherol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
InChIKey WGVKWNUPNGFDFJ-DQCZWYHMSA-N
Molecular Weight 416.690 g/mol
SMILES Oc1cc(c2c(c1C)CC[C@@](O2)(C)CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C
SPLASH splash10-0gb9-0700900000-b93104e4b7245d6c7a65
Source of Spectrum SFA-97-2089-Table4,entry3
Synonyms (R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
Wiley ID 1813771