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(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid methyl ester

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(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid methyl ester
SpectraBase Compound ID 6UXhuna2uyM
InChI InChI=1S/C21H30O3/c1-15(8-7-9-16(2)14-20(23)24-6)10-11-18-17(3)19(22)12-13-21(18,4)5/h7-11,14,19,22H,12-13H2,1-6H3/b9-7+,11-10+,15-8+,16-14+
InChIKey RLAYPMFOLMBAIN-XPSLGPGOSA-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 7HwIgWw3Jyi
Name 4-Hydroxy-vitamin A acid, methyl ester
CAS Registry Number 81121-22-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-15(8-7-9-16(2)14-20(23)24-6)10-11-18-17(3)19(22)12-13-21(18,4)5/h7-11,14,19,22H,12-13H2,1-6H3/b9-7+,11-10+,15-8+,16-14+
InChIKey RLAYPMFOLMBAIN-XPSLGPGOSA-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