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5-CHLORO-BETA-ORCINOL-CARBOXYLATE
SpectraBase Compound ID 4ys7VjyT7JA
InChI InChI=1S/C9H9ClO4/c1-3-5(9(13)14)7(11)4(2)8(12)6(3)10/h11-12H,1-2H3,(H,13,14)
InChIKey SRBSHDDHIHGIOX-UHFFFAOYSA-N
Mol Weight 216.62 g/mol
Molecular Formula C9H9ClO4
Exact Mass 216.018936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9FZ5YKh1P0
Name 5-Chloro-2,4-dihydroxy-3,6-dimethyl-benzoic acid
CAS Registry Number 81050-81-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9ClO4
InChI InChI=1S/C9H9ClO4/c1-3-5(9(13)14)7(11)4(2)8(12)6(3)10/h11-12H,1-2H3,(H,13,14)
InChIKey SRBSHDDHIHGIOX-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