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7-Thia-1,9-diazatetracyclo[9.2.2.0(2,10).0(4,8)]pentadeca-2(10),3,5,8-tetraene-6-carboxamide, 5-amino-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID 48Wp7nVwsIN
InChI InChI=1S/C20H17F3N4O2S/c21-20(22,23)29-12-3-1-11(2-4-12)25-18(28)17-15(24)13-9-14-16(26-19(13)30-17)10-5-7-27(14)8-6-10/h1-4,9-10H,5-8,24H2,(H,25,28)
InChIKey HCIUROXHCABSQQ-UHFFFAOYSA-N
Mol Weight 434.44 g/mol
Molecular Formula C20H17F3N4O2S
Exact Mass 434.102431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRgoxeBwI9W
Name 7-Thia-1,9-diazatetracyclo[9.2.2.0(2,10).0(4,8)]pentadeca-2(10),3,5,8-tetraene-6-carboxamide, 5-amino-N-[4-(trifluoromethoxy)phenyl]-
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Formula C20H17F3N4O2S
InChI InChI=1S/C20H17F3N4O2S/c21-20(22,23)29-12-3-1-11(2-4-12)25-18(28)17-15(24)13-9-14-16(26-19(13)30-17)10-5-7-27(14)8-6-10/h1-4,9-10H,5-8,24H2,(H,25,28)
InChIKey HCIUROXHCABSQQ-UHFFFAOYSA-N
Molecular Weight 434.437 g/mol
SMILES N(C(c1c(c2cc3c(nc2s1)C1CCN3CC1)N)=O)c1ccc(cc1)OC(F)(F)F
SPLASH splash10-0a4i-5490100000-438c14d5a1dcc5f5b2d0
Source of Spectrum IY-1-4592-8
Wiley ID 1653911