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1-(5-Chloro-2,4-dihydroxyphenyl)ethan-1-one
SpectraBase Compound ID 2s3YEKsybTR
InChI InChI=1S/C8H7ClO3/c1-4(10)5-2-6(9)8(12)3-7(5)11/h2-3,11-12H,1H3
InChIKey CVJQCEUAIVQCDK-UHFFFAOYSA-N
Mol Weight 186.59 g/mol
Molecular Formula C8H7ClO3
Exact Mass 186.008372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgxNGcev0u9
Name 1-(5-chloro-2,4-dihydroxyphenyl)ethan-1-one
Appearance Colorless solid
Carrier Gas Helium
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Exact Mass 186.008371782 u
Formula C8H7ClO3
GC Oven Program Oven temp 300oC
InChI InChI=1S/C8H7ClO3/c1-4(10)5-2-6(9)8(12)3-7(5)11/h2-3,11-12H,1H3
InChIKey CVJQCEUAIVQCDK-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201703270
Quality 1000
SMILES OC1=C(C=C(C(=C1)O)Cl)C(C)=O
SPLASH splash10-00di-2900000000-bbdfd10254687dcad44f
Source of Spectrum ACI-56-SM25-2c (DOI: 10.1002/anie.201703270)
Thin-Layer Chromatography 0.8 (CH2Cl2/EtOAc, 90:10)
Wiley ID 1896054