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5-CHLORO-4-O-DEMBARSAEURE
SpectraBase Compound ID DL7o5jmIKWa
InChI InChI=1S/C18H17ClO7/c1-6-5-10(7(2)14(20)11(6)17(23)24)26-18(25)12-8(3)13(19)16(22)9(4)15(12)21/h5,20-22H,1-4H3,(H,23,24)
InChIKey YQRXCJWBIALUBE-UHFFFAOYSA-N
Mol Weight 380.78 g/mol
Molecular Formula C18H17ClO7
Exact Mass 380.066281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkajcVXNPvm
Name 5-Chloro-4-O-demethyl-barbatic acid
CAS Registry Number 81050-82-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H17ClO7
InChI InChI=1S/C18H17ClO7/c1-6-5-10(7(2)14(20)11(6)17(23)24)26-18(25)12-8(3)13(19)16(22)9(4)15(12)21/h5,20-22H,1-4H3,(H,23,24)
InChIKey YQRXCJWBIALUBE-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference E.G. Sundholm, S. Huneck, Chemica Scripta 18, 233 (1981).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6