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(3R*,5R*,8S*)-3,5-Dichloro-8-phenyloxocan-2-one
SpectraBase Compound ID 6I0U56ZI6OS
InChI InChI=1S/C13H14Cl2O2/c14-10-6-7-12(9-4-2-1-3-5-9)17-13(16)11(15)8-10/h1-5,10-12H,6-8H2/t10-,11-,12+/m1/s1
InChIKey CNBHEAGDKRWNDI-UTUOFQBUSA-N
Mol Weight 273.16 g/mol
Molecular Formula C13H14Cl2O2
Exact Mass 272.037085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35YHQNRMIsY
Name (3R*,5R*,8S*)-3,5-Dichloro-8-phenyloxocan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14Cl2O2
InChI InChI=1S/C13H14Cl2O2/c14-10-6-7-12(9-4-2-1-3-5-9)17-13(16)11(15)8-10/h1-5,10-12H,6-8H2/t10-,11-,12+/m1/s1
InChIKey CNBHEAGDKRWNDI-UTUOFQBUSA-N
Molecular Weight 273.159 g/mol
SMILES C1(O[C@](c2ccccc2)(CC[C@](C[C@]1(Cl)[H])(Cl)[H])[H])=O
SPLASH splash10-0ap0-4910000000-e333270c04e250463537
Source of Spectrum F-50-12436-43
Synonyms (3R,5R,8S)-3,5-dichloro-8-phenyl-2-oxocanone
Wiley ID 789780