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(2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl)-3-methyl-octa-2,4,6-trienoic acid methyl ester

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(2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl)-3-methyl-octa-2,4,6-trienoic acid methyl ester
SpectraBase Compound ID 4zU7bLh6ctw
InChI InChI=1S/C21H30O3/c1-15(13-19(22)23-6)9-7-10-16(2)17-14-18-20(3,4)11-8-12-21(18,5)24-17/h7,9-10,13-14,17H,8,11-12H2,1-6H3/b9-7+,15-13+,16-10+
InChIKey KSJHZRVANAEYPS-RVOCBSSBSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F08WMBPOuXC
Name 5,8-Oxido-vitamin A acid, methyl ester
CAS Registry Number 50876-25-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-15(13-19(22)23-6)9-7-10-16(2)17-14-18-20(3,4)11-8-12-21(18,5)24-17/h7,9-10,13-14,17H,8,11-12H2,1-6H3/b9-7+,15-13+,16-10+
InChIKey KSJHZRVANAEYPS-RVOCBSSBSA-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