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5-Chloro-divaricatic acid

View entire compound with spectra: 1 NMR

5-Chloro-divaricatic acid
SpectraBase Compound ID 9HizuXh8412
InChI InChI=1S/C21H23ClO7/c1-4-6-11-8-12(9-14(23)17(11)20(25)26)29-21(27)18-13(7-5-2)19(22)16(28-3)10-15(18)24/h8-10,23-24H,4-7H2,1-3H3,(H,25,26)
InChIKey OPCWRYYYOJWUDI-UHFFFAOYSA-N
Mol Weight 422.86 g/mol
Molecular Formula C21H23ClO7
Exact Mass 422.113231 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2AnE1bAPjK
Name 5-Chloro-divaricatic acid
CAS Registry Number 74927-43-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H23ClO7
InChI InChI=1S/C21H23ClO7/c1-4-6-11-8-12(9-14(23)17(11)20(25)26)29-21(27)18-13(7-5-2)19(22)16(28-3)10-15(18)24/h8-10,23-24H,4-7H2,1-3H3,(H,25,26)
InChIKey OPCWRYYYOJWUDI-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