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PHYTYL-HEXADECANOATE
SpectraBase Compound ID 6fu6AVlQu7V
InChI InChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36(37)38-31-30-35(6)28-22-27-34(5)26-21-25-33(4)24-20-23-32(2)3/h30,32-34H,7-29,31H2,1-6H3/b35-30+/t33-,34-/m0/s1
InChIKey JDFCEOMVLWWUMP-JMPRYCIKSA-N
Mol Weight 535.0 g/mol
Molecular Formula C36H70O2
Exact Mass 534.537581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IutKT8kQQye
Name PHYTYL-HEXADECANOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H70O2
InChI InChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36(37)38-31-30-35(6)28-22-27-34(5)26-21-25-33(4)24-20-23-32(2)3/h30,32-34H,7-29,31H2,1-6H3/b35-30+/t33-,34-/m0/s1
InChIKey JDFCEOMVLWWUMP-JMPRYCIKSA-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 534.951 g/mol
Solvent CDCl3
Source File Reference UWLU29454