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1-[7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]isonipecotic acid ethyl ester
SpectraBase Compound ID 7EXeXJosiwo
InChI InChI=1S/C20H19ClF2N4O4/c1-2-30-19(29)12-5-7-26(8-6-12)18(28)14-11-17-24-13(15-4-3-9-31-15)10-16(20(21,22)23)27(17)25-14/h3-4,9-12H,2,5-8H2,1H3
InChIKey XTBNDILWVGNUTH-UHFFFAOYSA-N
Mol Weight 452.85 g/mol
Molecular Formula C20H19ClF2N4O4
Exact Mass 452.106289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSfPrL553PA
Name 1-[7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]isonipecotic acid ethyl ester
Alternate Name(s) 1-[[7-[chloro(difluoro)methyl]-5-(2-furanyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[7-[chloranyl-bis(fluoranyl)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylpiperidine-4-carboxylate Ethyl 1-[7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidine-4-carboxylate Ethyl 1-[7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidine-4-carboxylate
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Formula C20H19ClF2N4O4
InChI InChI=1S/C20H19ClF2N4O4/c1-2-30-19(29)12-5-7-26(8-6-12)18(28)14-11-17-24-13(15-4-3-9-31-15)10-16(20(21,22)23)27(17)25-14/h3-4,9-12H,2,5-8H2,1H3
InChIKey XTBNDILWVGNUTH-UHFFFAOYSA-N
Molecular Weight 452.846 g/mol
SMILES CCOC(C1CCN(C(c2n[n]3C(=CC(=Nc3c2)c2occc2)C(Cl)(F)F)=O)CC1)=O
SPLASH splash10-0a4i-7930100000-a6789841e033aa876444
Wiley ID 1453859