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4-((2-Chloro-2,3,3,3-tetrafluoropropyl)amino)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 95Tv09pKTN7
InChI InChI=1S/C11H15ClF4N4O/c1-3-4-6-7(8(9(17)21)20(2)19-6)18-5-10(12,13)11(14,15)16/h18H,3-5H2,1-2H3,(H2,17,21)
InChIKey BSIRMYCGDMYILV-UHFFFAOYSA-N
Mol Weight 330.71 g/mol
Molecular Formula C11H15ClF4N4O
Exact Mass 330.087051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALCFH20NZRF
Name 4-((2-Chloro-2,3,3,3-tetrafluoropropyl)amino)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
Appearance Pink solid
Carrier Gas Helium
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Formula C11H15ClF4N4O
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C11H15ClF4N4O/c1-3-4-6-7(8(9(17)21)20(2)19-6)18-5-10(12,13)11(14,15)16/h18H,3-5H2,1-2H3,(H2,17,21)
InChIKey BSIRMYCGDMYILV-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 330.715 g/mol
Quality 298
Reported Formula C11H15ClF4N4O
SMILES N(C=1C(=NN(C1C(N)=O)C)CCC)CC(F)(Cl)C(F)(F)F
SPLASH splash10-004i-2921000000-30d1e7eb2504b7c19cbe
Source of Spectrum ACI-61-SM52-46 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.44 (hexane/ethyl acetate, 1:1)
Wiley ID 1897976