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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fy0ZYRZeYQ4
Name 5-Chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxylic acid
CAS Registry Number 19165-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 256.641 g/mol
SMILES OC(c1cc(c2CC(OC(c2c1O)=O)C)Cl)=O
SPLASH splash10-03dl-7970000000-dd695992f204734ec792
Synonyms 5-Chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylic acid 5-Chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carboxylic acid 5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid 5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-7-carboxylic acid 5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid 5-Chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carboxylic acid
Wiley ID 1475524