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alpha-Tocopherol AC
SpectraBase Compound ID FOw6rL7SMRp
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
InChIKey ZAKOWWREFLAJOT-UHFFFAOYSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GjU8WUY1g
Name alpha-Tocopherol AC
CAS Registry Number 58-95-7
Classification Vitamin
Copyright Copyright © 2023-2024 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
InChIKey ZAKOWWREFLAJOT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 472.754 g/mol
SMILES c1(c(c(c2c(c1C)OC(CC2)(CCCC(CCCC(C)CCCC(C)C)C)C)C)OC(=O)C)C
SPLASH splash10-001i-4820900000-22153d1030255316f82b
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: G UHYAC
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_2402