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2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
SpectraBase Compound ID 5apvWWfc45b
InChI InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
InChIKey QUEDXNHFTDJVIY-UHFFFAOYSA-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 F7AguglOTJY
Name gamma-Tocopherol
CAS Registry Number 7616-22-0
Classification Vitamin E
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 416.365430784 u
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
InChIKey QUEDXNHFTDJVIY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 416.690 g/mol
SMILES c12c(c(c(O)cc2CCC(O1)(CCCC(CCCC(CCCC(C)C)C)C)C)C)C
SPLASH splash10-0udi-1910300000-c1e7a3abd9a2436b2fb2
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: P
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5816