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1-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide
SpectraBase Compound ID L7Eye2oZB5M
InChI InChI=1S/C19H17FN4O4/c1-28-15-8-6-13(7-9-15)11-21-19(25)17-10-18(24(26)27)22-23(17)12-14-4-2-3-5-16(14)20/h2-10H,11-12H2,1H3,(H,21,25)
InChIKey CWPJOMWQFDGVLA-UHFFFAOYSA-N
Mol Weight 384.37 g/mol
Molecular Formula C19H17FN4O4
Exact Mass 384.123383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vtX69aFaHw
Name 1-[(2-Fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 384.123383202 u
Formula C19H17FN4O4
InChI InChI=1S/C19H17FN4O4/c1-28-15-8-6-13(7-9-15)11-21-19(25)17-10-18(24(26)27)22-23(17)12-14-4-2-3-5-16(14)20/h2-10H,11-12H2,1H3,(H,21,25)
InChIKey CWPJOMWQFDGVLA-UHFFFAOYSA-N
Molecular Weight 384.367 g/mol
SMILES C1(=NN(C(=C1)C(NCC=1C=CC(=CC1)OC)=O)CC1=C(C=CC=C1)F)N(=O)=O