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cis-2,6-bis(4-chlorophenyl)cyclohexanone
SpectraBase Compound ID LJQqI3sKx3K
InChI InChI=1S/C18H16Cl2O/c19-14-8-4-12(5-9-14)16-2-1-3-17(18(16)21)13-6-10-15(20)11-7-13/h4-11,16-17H,1-3H2/t16-,17+
InChIKey ZWQORGNKXOGSSA-CALCHBBNSA-N
Mol Weight 319.23 g/mol
Molecular Formula C18H16Cl2O
Exact Mass 318.057821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKiXpNwqPqC
Name cis-2,6-bis(4-chlorophenyl)cyclohexanone
CAS Registry Number 113354-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16Cl2O
InChI InChI=1S/C18H16Cl2O/c19-14-8-4-12(5-9-14)16-2-1-3-17(18(16)21)13-6-10-15(20)11-7-13/h4-11,16-17H,1-3H2/t16-,17+
InChIKey ZWQORGNKXOGSSA-CALCHBBNSA-N
Molecular Weight 319.231 g/mol
SMILES C1([C@](c2ccc(cc2)Cl)(CCC[C@@]1(c1ccc(cc1)Cl)[H])[H])=O
SPLASH splash10-0fri-0902000000-039b07176aa00f29f43e
Source of Spectrum K-121-1030-1
Synonyms (2R,6S)-2,6-bis(4-chlorophenyl)cyclohexanone
Wiley ID 1318478