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methyl (2E,4E,6E,8E)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate

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methyl (2E,4E,6E,8E)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate
SpectraBase Compound ID 8XKpjyftnDx
InChI InChI=1S/C20H28O2/c1-16(10-7-6-8-12-19(21)22-5)13-14-18-17(2)11-9-15-20(18,3)4/h6-8,10,12-14H,9,11,15H2,1-5H3/b7-6+,12-8+,14-13+,16-10+
InChIKey MOPOFKUPRBRDCB-FUBMRTRVSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtlIbz5uVeb
Name 13-Desmethyl-vitamin A acid, methyl ester
CAS Registry Number 4807-58-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-16(10-7-6-8-12-19(21)22-5)13-14-18-17(2)11-9-15-20(18,3)4/h6-8,10,12-14H,9,11,15H2,1-5H3/b7-6+,12-8+,14-13+,16-10+
InChIKey MOPOFKUPRBRDCB-FUBMRTRVSA-N
Instrument Name Bruker HX-90
Literature Reference G. Englert, Helv. Chim. Acta 58, 2367 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3