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1-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}-4-(4-methoxyphenyl)piperazine
SpectraBase Compound ID 6LgJEY22Tuu
InChI InChI=1S/C18H22F2N4O2/c1-12-16(13(2)24(21-12)18(19)20)17(25)23-10-8-22(9-11-23)14-4-6-15(26-3)7-5-14/h4-7,18H,8-11H2,1-3H3
InChIKey RSJZBVYPPDRQGF-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C18H22F2N4O2
Exact Mass 364.171082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID It3SOl9OHB8
Name 1-{[1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}-4-(4-methoxyphenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 364.171082288 u
Formula C18H22F2N4O2
InChI InChI=1S/C18H22F2N4O2/c1-12-16(13(2)24(21-12)18(19)20)17(25)23-10-8-22(9-11-23)14-4-6-15(26-3)7-5-14/h4-7,18H,8-11H2,1-3H3
InChIKey RSJZBVYPPDRQGF-UHFFFAOYSA-N
Molecular Weight 364.397 g/mol
SMILES C1(=C(N(C(F)F)N=C1C)C)C(N1CCN(CC1)C1=CC=C(C=C1)OC)=O