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4-Chloro-3-hydroxy-3-methylbutan-2-one
SpectraBase Compound ID 1iAcHWpGb1z
InChI InChI=1S/C5H9ClO2/c1-4(7)5(2,8)3-6/h8H,3H2,1-2H3
InChIKey DRFVVVGXVMRKFW-UHFFFAOYSA-N
Mol Weight 136.58 g/mol
Molecular Formula C5H9ClO2
Exact Mass 136.029107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHBqn8C3uTb
Name 4-Chloro-3-hydroxy-3-methylbutan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9ClO2
InChI InChI=1S/C5H9ClO2/c1-4(7)5(2,8)3-6/h8H,3H2,1-2H3
InChIKey DRFVVVGXVMRKFW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201502102
Molecular Weight 136.578 g/mol
SMILES OC(CCl)(C(C)=O)C
SPLASH splash10-0006-9000000000-83899ca6a5821293530d
Source of Spectrum ACI-54-7171/SM-25
Synonyms 4-Chloro-3-hydroxy-3-methyl-2-butanone 4-Chloranyl-3-methyl-3-oxidanyl-butan-2-one
Wiley ID 1761235