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5-Chloromethyl-4-oxo-4H-1-benzopyran-3-carboxylic acid
SpectraBase Compound ID CwcVAQg4hgT
InChI InChI=1S/C11H7ClO4/c12-4-6-2-1-3-8-9(6)10(13)7(5-16-8)11(14)15/h1-3,5H,4H2,(H,14,15)
InChIKey ILQXDHHWGGQZIU-UHFFFAOYSA-N
Mol Weight 238.63 g/mol
Molecular Formula C11H7ClO4
Exact Mass 238.003286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZxPIreW1mU
Name 5-Chloromethyl-4-oxo-4H-1-benzopyran-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7ClO4
InChI InChI=1S/C11H7ClO4/c12-4-6-2-1-3-8-9(6)10(13)7(5-16-8)11(14)15/h1-3,5H,4H2,(H,14,15)
InChIKey ILQXDHHWGGQZIU-UHFFFAOYSA-N
Molecular Weight 238.626 g/mol
SMILES OC(C1=COc2c(C1=O)c(ccc2)CCl)=O
SPLASH splash10-0f6x-2930000000-b5cf3f87e6c8770e1edf
Source of Spectrum F-50-11768-33
Synonyms 5-(chloromethyl)-4-oxo-4H-chromene-3-carboxylic acid
Wiley ID 789722