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5-Chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxylic acid

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5-Chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxylic acid
SpectraBase Compound ID IkOePhXMPZn
InChI InChI=1S/C11H9ClO5/c1-4-2-5-7(12)3-6(10(14)15)9(13)8(5)11(16)17-4/h3-4,13H,2H2,1H3,(H,14,15)
InChIKey OSFWJKYWJMZKSM-UHFFFAOYSA-N
Mol Weight 256.64 g/mol
Molecular Formula C11H9ClO5
Exact Mass 256.013851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WwXSiaiREn
Name 3-Methyl-5-chloro-7-carboxy-8-hydroxy-isocoumarin
CAS Registry Number 16281-39-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H9ClO5
InChI InChI=1S/C11H9ClO5/c1-4-2-5-7(12)3-6(10(14)15)9(13)8(5)11(16)17-4/h3-4,13H,2H2,1H3,(H,14,15)
InChIKey OSFWJKYWJMZKSM-UHFFFAOYSA-N
Literature Reference M.P. Sibi, S. Chattopadhyay, J. Dankwardt, J. Am. Chem. Soc. 107, 6312 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6