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3-(tert-Butyl)-4-(3-methoxyphenyl)-1H-dipyrazolo[1,5-a:3',4'-d]pyrimidine
SpectraBase Compound ID CDxTUT8Gc44
InChI InChI=1S/C18H19N5O/c1-18(2,3)16-14-15(11-6-5-7-12(10-11)24-4)23-13(8-9-19-23)20-17(14)22-21-16/h5-10H,1-4H3,(H,20,22)
InChIKey JZWJYSFMLTWISF-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C18H19N5O
Exact Mass 321.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lw7R595brMu
Name 3-(tert-Butyl)-4-(3-methoxyphenyl)-1H-dipyrazolo[1,5-a:3',4'-d]pyrimidine
Appearance White solid
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Exact Mass 321.158960251 u
Formula C18H19N5O
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C18H19N5O/c1-18(2,3)16-14-15(11-6-5-7-12(10-11)24-4)23-13(8-9-19-23)20-17(14)22-21-16/h5-10H,1-4H3,(H,20,22)
InChIKey JZWJYSFMLTWISF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Reported Formula C18H19N5O
SMILES N1N=C(C=2C1=NC=1N(C2C2=CC=CC(=C2)OC)N=CC1)C(C)(C)C
SPLASH splash10-05fr-0029000000-600463271523dfaedea9
Source of Spectrum QE-28-SM52-38 (DOI: 10.1002/chem.202200733)
Wiley ID 1900445