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N-(4-chlorophenyl)-5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furamide
SpectraBase Compound ID AJYXRLFplsP
InChI InChI=1S/C15H11Cl2N3O2/c16-10-1-3-12(4-2-10)19-15(21)14-6-5-13(22-14)9-20-8-11(17)7-18-20/h1-8H,9H2,(H,19,21)
InChIKey KNFBXDRIDWCTRT-UHFFFAOYSA-N
Mol Weight 336.18 g/mol
Molecular Formula C15H11Cl2N3O2
Exact Mass 335.022832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99x2OZFt7xX
Name N-(4-Chlorophenyl)-5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 335.022832004 u
Formula C15H11Cl2N3O2
InChI InChI=1S/C15H11Cl2N3O2/c16-10-1-3-12(4-2-10)19-15(21)14-6-5-13(22-14)9-20-8-11(17)7-18-20/h1-8H,9H2,(H,19,21)
InChIKey KNFBXDRIDWCTRT-UHFFFAOYSA-N
Molecular Weight 336.178 g/mol
SMILES N(C1=CC=C(Cl)C=C1)C(C=1OC(CN2N=CC(=C2)Cl)=CC1)=O