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4-(3-Oxo-3-phenylprop-1-ynyl)benzonitrile
SpectraBase Compound ID F7L1AxuBhBH
InChI InChI=1S/C16H9NO/c17-12-14-8-6-13(7-9-14)10-11-16(18)15-4-2-1-3-5-15/h1-9H
InChIKey MNJOORIWNLGABD-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C16H9NO
Exact Mass 231.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QKnMCgxl7t
Name 4-(3-Oxo-3-phenylprop-1-ynyl)benzonitrile
Alternate Name(s) 4-(3-keto-3-phenyl-prop-1-ynyl)benzonitrile 4-(3-oxidanylidene-3-phenyl-prop-1-ynyl)benzenecarbonitrile
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Formula C16H9NO
InChI InChI=1S/C16H9NO/c17-12-14-8-6-13(7-9-14)10-11-16(18)15-4-2-1-3-5-15/h1-9H
InChIKey MNJOORIWNLGABD-UHFFFAOYSA-N
Molecular Weight 231.254 g/mol
SMILES C(c1ccc(cc1)C#CC(c1ccccc1)=O)#N
SPLASH splash10-001i-2590000000-dddb43823a28dcb3361a
Source of Spectrum K-2001-739-4
Wiley ID 1578754