For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
METHYL-3,4-DI-[[(2E)-3,7-DIMETHYL-2,6-OCTADIENYL]-OXY]-BENZOATE
SpectraBase Compound ID KiJVgZOgPBo
InChI InChI=1S/C28H40O4/c1-21(2)10-8-12-23(5)16-18-31-26-15-14-25(28(29)30-7)20-27(26)32-19-17-24(6)13-9-11-22(3)4/h10-11,14-17,20H,8-9,12-13,18-19H2,1-7H3/b23-16+,24-17+
InChIKey GVMUPJURGKNRJO-WPHIWBHXSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8tWPMANaowq
Name METHYL-3,4-DI-[[(2E)-3,7-DIMETHYL-2,6-OCTADIENYL]-OXY]-BENZOATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-21(2)10-8-12-23(5)16-18-31-26-15-14-25(28(29)30-7)20-27(26)32-19-17-24(6)13-9-11-22(3)4/h10-11,14-17,20H,8-9,12-13,18-19H2,1-7H3/b23-16+,24-17+
InChIKey GVMUPJURGKNRJO-WPHIWBHXSA-N
Literature Reference Author S.H.BAEK,N.B.PERRY,R.T.WEAVERS
Literature Reference Citation J.NAT.PROD.,61,1143(1998)
Literature Reference DOI 10.1021/np980031w
Molecular Weight 440.623 g/mol
Solvent CDCl3
Source File Reference UWCP2096