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5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-pyridinylmethyl)-2-furamide
SpectraBase Compound ID JR55BgWfuRA
InChI InChI=1S/C15H13BrN4O2/c16-11-7-19-20(9-11)10-13-4-5-14(22-13)15(21)18-8-12-3-1-2-6-17-12/h1-7,9H,8,10H2,(H,18,21)
InChIKey JLDGLMUAUKNJHT-UHFFFAOYSA-N
Mol Weight 361.2 g/mol
Molecular Formula C15H13BrN4O2
Exact Mass 360.022189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7zppUT7pFe
Name 5-[(4-Bromo-1H-pyrazol-1-yl)methyl]-N-(2-pyridinylmethyl)-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 360.022188673 u
Formula C15H13BrN4O2
InChI InChI=1S/C15H13BrN4O2/c16-11-7-19-20(9-11)10-13-4-5-14(22-13)15(21)18-8-12-3-1-2-6-17-12/h1-7,9H,8,10H2,(H,18,21)
InChIKey JLDGLMUAUKNJHT-UHFFFAOYSA-N
Molecular Weight 361.199 g/mol
SMILES N(C(C=1OC(CN2N=CC(=C2)Br)=CC1)=O)CC1=NC=CC=C1