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2-propen-1-one, 1-(4-bromophenyl)-3-[(2,4-dimethylphenyl)amino]-, (2Z)-
SpectraBase Compound ID HOrG3FlFsCy
InChI InChI=1S/C17H16BrNO/c1-12-3-8-16(13(2)11-12)19-10-9-17(20)14-4-6-15(18)7-5-14/h3-11,19H,1-2H3/b10-9-
InChIKey JJULXKQOERBVRE-KTKRTIGZSA-N
Mol Weight 330.23 g/mol
Molecular Formula C17H16BrNO
Exact Mass 329.041527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ga7N5zMftij
Name 2-Propen-1-one, 1-(4-bromophenyl)-3-[(2,4-dimethylphenyl)amino]-, (2Z)-
Comments Computed using HOSE algorithm
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Exact Mass 329.041527138 u
Formula C17H16BrNO
InChI InChI=1S/C17H16BrNO/c1-12-3-8-16(13(2)11-12)19-10-9-17(20)14-4-6-15(18)7-5-14/h3-11,19H,1-2H3/b10-9-
InChIKey JJULXKQOERBVRE-KTKRTIGZSA-N
Molecular Weight 330.225 g/mol
SMILES C(\C=C/NC1=C(C=C(C=C1)C)C)(C1=CC=C(C=C1)Br)=O