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4-(1,6-Dimethyl-3,4-dihydroisoquinolin-3-yl)benzonitrile
SpectraBase Compound ID 53RxNWEtBCe
InChI InChI=1S/C18H16N2/c1-12-3-8-17-13(2)20-18(10-16(17)9-12)15-6-4-14(11-19)5-7-15/h3-9,18H,10H2,1-2H3
InChIKey SXETXKFDLYPXGD-UHFFFAOYSA-N
Mol Weight 260.34 g/mol
Molecular Formula C18H16N2
Exact Mass 260.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6r0nMnuWcyz
Name 4-(1,6-Dimethyl-3,4-dihydroisoquinolin-3-yl)benzonitrile
Appearance Yellow oil
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Formula C18H16N2
InChI InChI=1S/C18H16N2/c1-12-3-8-17-13(2)20-18(10-16(17)9-12)15-6-4-14(11-19)5-7-15/h3-9,18H,10H2,1-2H3
InChIKey SXETXKFDLYPXGD-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900922
Molecular Weight 260.340 g/mol
Reported Formula C18H16N2
SMILES C(c1ccc(cc1)C1N=C(c2ccc(cc2C1)C)C)#N
SPLASH splash10-0bt9-0290000000-e3683fa1446b85469505
Source of Spectrum ASC-361-SM18-3af
Wiley ID 1838105