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ALPHA-TOCOPHERYL-HEXADECANOATE
SpectraBase Compound ID KGA0HvaRRXs
InChI InChI=1S/C45H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-31-42(46)47-43-38(6)39(7)44-41(40(43)8)32-34-45(9,48-44)33-25-30-37(5)29-24-28-36(4)27-23-26-35(2)3/h35-37H,10-34H2,1-9H3/t36-,37-,45-/m1/s1
InChIKey GEDVGZULFCXUQL-LSVMFHPPSA-N
Mol Weight 669.1 g/mol
Molecular Formula C45H80O3
Exact Mass 668.610746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78cFXOwmjAq
Name ALPHA-TOCOPHERYL-HEXADECANOATE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H80O3
InChI InChI=1S/C45H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-31-42(46)47-43-38(6)39(7)44-41(40(43)8)32-34-45(9,48-44)33-25-30-37(5)29-24-28-36(4)27-23-26-35(2)3/h35-37H,10-34H2,1-9H3/t36-,37-,45-/m1/s1
InChIKey GEDVGZULFCXUQL-LSVMFHPPSA-N
Literature Reference Author A.S.PEREIRA,D.S.SIQUERIA,V.O.ELIAS,B.R.T.SIMONEIT,J.A.CABRAL ,F.R.A.NETO
Literature Reference Citation PHYTOCHEM.,61,711(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00348-5
Molecular Weight 669.128 g/mol
Solvent CDCl3
Source File Reference UWLU29455