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2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]hydroquinone
SpectraBase Compound ID IIzMaIIzspW
InChI InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
InChIKey ZSEZIXXOVHVSFP-MLAGYPMBSA-N
Mol Weight 396.6 g/mol
Molecular Formula C27H40O2
Exact Mass 396.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 828Sl016FuL
Name 2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]hydroquinone
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O2
InChI InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
InChIKey ZSEZIXXOVHVSFP-MLAGYPMBSA-N
Literature Reference Author G.KOREN-GOLDSHLAGER,P.KLEIN,A.RUDI,Y.BENAYAHU,M.SCHLEYER,Y.K ASHMAN
Literature Reference Citation J.NAT.PROD.,59,262(1996)
Literature Reference DOI 10.1021/np960118m
Molecular Weight 396.613 g/mol
Solvent CDCl3
Source File Reference UWVP2326