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2-[4-(4-keto-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl)phenyl]acetonitrile
SpectraBase Compound ID B66HT8Luc9r
InChI InChI=1S/C17H20N2O/c18-11-9-13-5-7-14(8-6-13)19-12-10-17(20)15-3-1-2-4-16(15)19/h5-8,15-16H,1-4,9-10,12H2
InChIKey UPIMGBKFWKXBNP-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C17H20N2O
Exact Mass 268.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCh31V1KjR4
Name 2-[4-(4-keto-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl)phenyl]acetonitrile
Alternate Name(s) 2-[4-(4-oxidanylidene-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl)phenyl]ethanenitrile 2-[4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl)phenyl]acetonitrile [4-(4-Oxooctahydroquinolin-1-yl)phenyl]acetonitrile
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Formula C17H20N2O
InChI InChI=1S/C17H20N2O/c18-11-9-13-5-7-14(8-6-13)19-12-10-17(20)15-3-1-2-4-16(15)19/h5-8,15-16H,1-4,9-10,12H2
InChIKey UPIMGBKFWKXBNP-UHFFFAOYSA-N
Molecular Weight 268.360 g/mol
SMILES C12CCCCC2C(CCN1c1ccc(cc1)CC#N)=O
SPLASH splash10-0002-5910000000-bae89a1445694d58bfc0
Wiley ID 1447973