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trans-3-Butyl-2-(4-chlorophenyl)cyclohexan-1-one
SpectraBase Compound ID K3qfRyQtP7q
InChI InChI=1S/C16H21ClO/c1-2-3-5-12-6-4-7-15(18)16(12)13-8-10-14(17)11-9-13/h8-12,16H,2-7H2,1H3/t12-,16-/m1/s1
InChIKey IRZKLTQRKQMSNQ-MLGOLLRUSA-N
Mol Weight 264.8 g/mol
Molecular Formula C16H21ClO
Exact Mass 264.128093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cmrDCLV7Q
Name trans-3-Butyl-2-(4-chlorophenyl)cyclohexan-1-one
Alternate Name(s) (2R,3R)-3-butyl-2-(4-chlorophenyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClO
InChI InChI=1S/C16H21ClO/c1-2-3-5-12-6-4-7-15(18)16(12)13-8-10-14(17)11-9-13/h8-12,16H,2-7H2,1H3/t12-,16-/m1/s1
InChIKey IRZKLTQRKQMSNQ-MLGOLLRUSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 264.796 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1ccc(cc1)Cl)[H])=O
SPLASH splash10-0a4r-3910000000-d3eea9a66c1e1abfc967
Source of Spectrum KD-52-2382/SM8-3c
Wiley ID 1803716