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3-(N-Benzylanilino)-6-methylcyclohex-2-enone
SpectraBase Compound ID KfksIiDEj1A
InChI InChI=1S/C20H21NO/c1-16-12-13-19(14-20(16)22)21(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15H2,1H3
InChIKey DIMLGAJQVNJCHO-UHFFFAOYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C20H21NO
Exact Mass 291.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 826DO2rtn2R
Name 3-(N-Benzylanilino)-6-methylcyclohex-2-enone
Alternate Name(s) 3-(benzylanilino)-6-methyl-2-cyclohexen-1-one
Comments Edited after expert review for CCl4 contamination - Original record with SpectrumID 811767 moved to the Legacy library
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Formula C20H21NO
InChI InChI=1S/C20H21NO/c1-16-12-13-19(14-20(16)22)21(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15H2,1H3
InChIKey DIMLGAJQVNJCHO-UHFFFAOYSA-N
Molecular Weight 291.394 g/mol
SMILES C1(=CC(=O)C(CC1)C)N(Cc1ccccc1)c1ccccc1
SPLASH splash10-0006-9210000000-dded6dfe426befea7988
Source of Spectrum AC-1994-69-4
Wiley ID 1821461