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(6E)-2-tert-butyl-6-(4-chlorobenzylidene)cyclohexanone

View entire compound with spectra: 4 MS (GC)

(6E)-2-tert-butyl-6-(4-chlorobenzylidene)cyclohexanone
SpectraBase Compound ID J69HyPTJ6XG
InChI InChI=1S/C17H21ClO/c1-17(2,3)15-6-4-5-13(16(15)19)11-12-7-9-14(18)10-8-12/h7-11,15H,4-6H2,1-3H3/b13-11+
InChIKey CWOOXLJATFYAEI-ACCUITESSA-N
Mol Weight 276.81 g/mol
Molecular Formula C17H21ClO
Exact Mass 276.128093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEPXmkLiqLd
Name Cyclohexanone, 2-[(4-chlorophenyl)methylene]-6-(1,1-dimethylethyl)-
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Formula C17H21ClO
InChI InChI=1S/C17H21ClO/c1-17(2,3)15-6-4-5-13(16(15)19)11-12-7-9-14(18)10-8-12/h7-11,15H,4-6H2,1-3H3/b13-11+
InChIKey CWOOXLJATFYAEI-ACCUITESSA-N
Molecular Weight 276.1276
SMILES c1(Cl)ccc(\C=C/2CCCC(C(C)(C)C)C2=O)cc1
SPLASH splash10-00di-7960000000-09e80bdb130b7737a71e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany