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2-(chloromethyl)-5-hydroxy-4H-pyran-4-one
SpectraBase Compound ID 55pcf523PIq
InChI InChI=1S/C6H5ClO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2
InChIKey WSVIQCQIJLDTEK-UHFFFAOYSA-N
Mol Weight 160.56 g/mol
Molecular Formula C6H5ClO3
Exact Mass 159.992722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID k7cAHCuKpA
Name Chlorokojic acid
CAS Registry Number 7559-81-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5ClO3
InChI InChI=1S/C6H5ClO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2
InChIKey WSVIQCQIJLDTEK-UHFFFAOYSA-N
Molecular Weight 160.556 g/mol
SMILES OC=1C(C=C(CCl)OC1)=O
SPLASH splash10-00n3-9000000000-c623ca2b0bacbd1e9034
Source of Spectrum TA-0-625-0
Synonyms 2-(Chloromethyl)-5-hydroxy-4H-pyran-4-one 2-(chloromethyl)-5-hydroxypyran-4-one 4H-Pyran-4-one, 2-(chloromethyl)-5-hydroxy- 2-(chloromethyl)-5-hydroxy-4-pyranone 2-Chloromethyl-5-hydroxy-pyran-4-one 2-Chloromethyl-5-hydroxypyran-4(1H)-one 2-(chloromethyl)-5-hydroxy-pyran-4-one 2-(chloromethyl)-5-oxidanyl-pyran-4-one
Wiley ID 12567