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5,6,7,8-tetrahydro-4-(4'-chlorophenyl)-7,7-dimethyl-6,8-methylene-2-quinazolinamine
SpectraBase Compound ID HlqJqDUCzQV
InChI InChI=1S/C17H18ClN3/c1-17(2)10-7-12-14(9-3-5-11(18)6-4-9)20-16(19)21-15(12)13(17)8-10/h3-6,10,13H,7-8H2,1-2H3,(H2,19,20,21)/t10-,13-/m1/s1
InChIKey RQWDRLOTISUECI-ZWNOBZJWSA-N
Mol Weight 299.8 g/mol
Molecular Formula C17H18ClN3
Exact Mass 299.118925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bgo5tKbXzBi
Name 5,6,7,8-tetrahydro-4-(4'-chlorophenyl)-7,7-dimethyl-6,8-methylene-2-quinazolinamine
Appearance Colorless transparent crystal
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Formula C17H18ClN3
InChI InChI=1S/C17H18ClN3/c1-17(2)10-7-12-14(9-3-5-11(18)6-4-9)20-16(19)21-15(12)13(17)8-10/h3-6,10,13H,7-8H2,1-2H3,(H2,19,20,21)/t10-,13-/m1/s1
InChIKey RQWDRLOTISUECI-ZWNOBZJWSA-N
Ionization Type EI
Molecular Weight 299.805 g/mol
Optical Rotation [a]D20 = -117.6 (c = 0.5, CH3OH)
SMILES Nc1nc2c(c(n1)-c1ccc(cc1)Cl)C[C@@]1(C[C@]2(C1(C)C)[H])[H]
SPLASH splash10-014i-1890000000-9a2bd44715dfa19ce4a3
Source of Spectrum CN103965118A
Wiley ID 1849721