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2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SpectraBase Compound ID H34I9gR9m5b
InChI InChI=1S/C22H23ClF2N4O2S/c23-22(24,25)19-11-15(18-7-4-10-32-18)26-20-12-16(27-29(19)20)21(30)31-13-14-5-3-9-28-8-2-1-6-17(14)28/h4,7,10-12,14,17H,1-3,5-6,8-9,13H2
InChIKey OFMRCMZEVATFDR-UHFFFAOYSA-N
Mol Weight 480.96 g/mol
Molecular Formula C22H23ClF2N4O2S
Exact Mass 480.119831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5igUJGdAYN
Name 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-2-carboxylate
Alternate Name(s) 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 7-[chloro(difluoro)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate 7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid quinolizidin-1-ylmethyl ester 7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester
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Formula C22H23ClF2N4O2S
InChI InChI=1S/C22H23ClF2N4O2S/c23-22(24,25)19-11-15(18-7-4-10-32-18)26-20-12-16(27-29(19)20)21(30)31-13-14-5-3-9-28-8-2-1-6-17(14)28/h4,7,10-12,14,17H,1-3,5-6,8-9,13H2
InChIKey OFMRCMZEVATFDR-UHFFFAOYSA-N
Molecular Weight 480.962 g/mol
SMILES C1CCN2C(C(COC(c3n[n]4C(=CC(c5sccc5)=Nc4c3)C(F)(F)Cl)=O)CCC2)C1
SPLASH splash10-0udi-4900000000-441f3128abc40b292a08
Wiley ID 1443467