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3-Methyl-7-carboxy-8-hydroxy-isocoumarin

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3-Methyl-7-carboxy-8-hydroxy-isocoumarin
SpectraBase Compound ID 1tx0SL6KVQu
InChI InChI=1S/C11H10O5/c1-5-4-6-2-3-7(10(13)14)9(12)8(6)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)
InChIKey POPKYYDFBOZZGX-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C11H10O5
Exact Mass 222.052823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18wsdFi5qkA
Name 3-Methyl-7-carboxy-8-hydroxy-isocoumarin
CAS Registry Number 16281-43-9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C11H10O5
InChI InChI=1S/C11H10O5/c1-5-4-6-2-3-7(10(13)14)9(12)8(6)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)
InChIKey POPKYYDFBOZZGX-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