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4-(1-(tert-butyl)-1H-tetrazol-5-yl)-3-(2-chlorophenyl)-3,4-dihydroquinazoline-2(1H)-thione
SpectraBase Compound ID 5pyiifPK1cf
InChI InChI=1S/C19H19ClN6S/c1-19(2,3)26-17(22-23-24-26)16-12-8-4-6-10-14(12)21-18(27)25(16)15-11-7-5-9-13(15)20/h4-11,16H,1-3H3,(H,21,27)
InChIKey DVZAWHYJYLTSBF-UHFFFAOYSA-N
Mol Weight 398.92 g/mol
Molecular Formula C19H19ClN6S
Exact Mass 398.108044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55cupzVVhrD
Name 4-(1-(tert-butyl)-1H-tetrazol-5-yl)-3-(2-chlorophenyl)-3,4-dihydroquinazoline-2(1H)-thione
Appearance White solid
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Formula C19H19ClN6S
InChI InChI=1S/C19H19ClN6S/c1-19(2,3)26-17(22-23-24-26)16-12-8-4-6-10-14(12)21-18(27)25(16)15-11-7-5-9-13(15)20/h4-11,16H,1-3H3,(H,21,27)
InChIKey DVZAWHYJYLTSBF-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 398.916 g/mol
SMILES N1c2ccccc2C(N(C1=S)c1ccccc1Cl)c1[n](nnn1)C(C)(C)C
SPLASH splash10-000i-0090000000-d74813e2637c6b444a6a
Source of Spectrum CN109776501A
Wiley ID 1872739