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UKDHTUVXILXEGV-CTYAZUAOSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

UKDHTUVXILXEGV-CTYAZUAOSA-N
SpectraBase Compound ID CkPxqxp6sw0
InChI InChI=1S/C20H28O2/c1-16(15-19(21)22-5)11-8-6-7-9-13-18-17(2)12-10-14-20(18,3)4/h6-9,11,13,15H,10,12,14H2,1-5H3/b7-6+,11-8+,13-9+,16-15+
InChIKey UKDHTUVXILXEGV-CTYAZUAOSA-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 JCmKjnE7V5D
Name 9-Desmethyl-vitamin A acid, methyl ester
CAS Registry Number 4834-03-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-16(15-19(21)22-5)11-8-6-7-9-13-18-17(2)12-10-14-20(18,3)4/h6-9,11,13,15H,10,12,14H2,1-5H3/b7-6+,11-8+,13-9+,16-15+
InChIKey UKDHTUVXILXEGV-CTYAZUAOSA-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