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5,6,7,8-tetrahydro-4-(4'-methylphenyl)-7,7-dimethyl-6,8-methylene-2-quinazolinamine
SpectraBase Compound ID IwpFw0mXlbm
InChI InChI=1S/C18H21N3/c1-10-4-6-11(7-5-10)15-13-8-12-9-14(18(12,2)3)16(13)21-17(19)20-15/h4-7,12,14H,8-9H2,1-3H3,(H2,19,20,21)/t12-,14-/m1/s1
InChIKey HOVRKSQNUANMMY-TZMCWYRMSA-N
Mol Weight 279.39 g/mol
Molecular Formula C18H21N3
Exact Mass 279.173548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTyjsndIMQr
Name 5,6,7,8-tetrahydro-4-(4'-methylphenyl)-7,7-dimethyl-6,8-methylene-2-quinazolinamine
Appearance Colorless transparent crystal
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Formula C18H21N3
InChI InChI=1S/C18H21N3/c1-10-4-6-11(7-5-10)15-13-8-12-9-14(18(12,2)3)16(13)21-17(19)20-15/h4-7,12,14H,8-9H2,1-3H3,(H2,19,20,21)/t12-,14-/m1/s1
InChIKey HOVRKSQNUANMMY-TZMCWYRMSA-N
Ionization Type EI
Molecular Weight 279.387 g/mol
Optical Rotation [a]D20 = -121.8 (c = 0.5, CH3OH)
SMILES Nc1nc2c(c(n1)-c1ccc(cc1)C)C[C@@]1(C[C@]2(C1(C)C)[H])[H]
SPLASH splash10-016r-2690000000-f2e3ac245fb1c2ef8cc9
Source of Spectrum CN103965118A
Wiley ID 1849716