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5-Chloro-divaricatic acid, methyl ester

View entire compound with spectra: 1 NMR

5-Chloro-divaricatic acid, methyl ester
SpectraBase Compound ID CO7iF7q8neX
InChI InChI=1S/C22H25ClO7/c1-5-7-12-9-13(10-15(24)18(12)21(26)29-4)30-22(27)19-14(8-6-2)20(23)17(28-3)11-16(19)25/h9-11,24-25H,5-8H2,1-4H3
InChIKey CKVHEQFVYVCHKF-UHFFFAOYSA-N
Mol Weight 436.89 g/mol
Molecular Formula C22H25ClO7
Exact Mass 436.128881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cXiG2ibNqM
Name 5-Chloro-divaricatic acid, methyl ester
CAS Registry Number 74927-44-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H25ClO7
InChI InChI=1S/C22H25ClO7/c1-5-7-12-9-13(10-15(24)18(12)21(26)29-4)30-22(27)19-14(8-6-2)20(23)17(28-3)11-16(19)25/h9-11,24-25H,5-8H2,1-4H3
InChIKey CKVHEQFVYVCHKF-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference S. Huneck, G. Sundholm, Phytochem. 19, 645 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3