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(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohex-2-enyl)nona-2,4,6,8-tetraenoic acid

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(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohex-2-enyl)nona-2,4,6,8-tetraenoic acid
SpectraBase Compound ID BEBsBFrLGeS
InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-12,14,18H,7,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-
InChIKey ILLYYNHLCANIBL-XFYACQKRSA-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 I1m1TqcqGi7
Name 13-cis-Iso-vitamin A acid
CAS Registry Number 58526-49-1
Comments GE WIDE-BORE SPECTROMETER, NT SERIES
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-12,14,18H,7,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-
InChIKey ILLYYNHLCANIBL-XFYACQKRSA-N
Instrument Name see comment
Literature Reference K.D. Hope, C.Y. Robinson, D.D.Muccio, Magn. Res. Chem. 25, 1040 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3