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5,6,7,8-tetrahydro-4-(4'-hydroxyphenyl)-7,7-dimethyl-6,8-methylene-2-quinazolinamine
SpectraBase Compound ID 1CmaVYsCqwp
InChI InChI=1S/C17H19N3O/c1-17(2)10-7-12-14(9-3-5-11(21)6-4-9)19-16(18)20-15(12)13(17)8-10/h3-6,10,13,21H,7-8H2,1-2H3,(H2,18,19,20)/t10-,13-/m1/s1
InChIKey SIIBHMVUMIYDIN-ZWNOBZJWSA-N
Mol Weight 281.36 g/mol
Molecular Formula C17H19N3O
Exact Mass 281.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8NPfKw5bHQ
Name 5,6,7,8-tetrahydro-4-(4'-hydroxyphenyl)-7,7-dimethyl-6,8-methylene-2-quinazolinamine
Appearance Colorless transparent crystal
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Formula C17H19N3O
InChI InChI=1S/C17H19N3O/c1-17(2)10-7-12-14(9-3-5-11(21)6-4-9)19-16(18)20-15(12)13(17)8-10/h3-6,10,13,21H,7-8H2,1-2H3,(H2,18,19,20)/t10-,13-/m1/s1
InChIKey SIIBHMVUMIYDIN-ZWNOBZJWSA-N
Ionization Type EI
Molecular Weight 281.359 g/mol
Optical Rotation [a]D20 = -168.2 (c = 0.5, CH3OH)
SMILES Oc1ccc(-c2c3c(nc(n2)N)[C@]2(C[C@@](C3)(C2(C)C)[H])[H])cc1
SPLASH splash10-0159-0590000000-949bfe78a06b00c09413
Source of Spectrum CN103965118A
Wiley ID 1849718