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4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-furylmethyl)benzamide

View entire compound with spectra: 2 NMR

4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-furylmethyl)benzamide
SpectraBase Compound ID 1Vw337fFAei
InChI InChI=1S/C16H14BrN3O2/c17-14-8-19-20(11-14)10-12-3-5-13(6-4-12)16(21)18-9-15-2-1-7-22-15/h1-8,11H,9-10H2,(H,18,21)
InChIKey AOUQPNORBBMBFM-UHFFFAOYSA-N
Mol Weight 360.21 g/mol
Molecular Formula C16H14BrN3O2
Exact Mass 359.02694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Tgij58x97p
Name 4-[(4-Bromo-1H-pyrazol-1-yl)methyl]-N-(2-furylmethyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 359.026939701 u
Formula C16H14BrN3O2
InChI InChI=1S/C16H14BrN3O2/c17-14-8-19-20(11-14)10-12-3-5-13(6-4-12)16(21)18-9-15-2-1-7-22-15/h1-8,11H,9-10H2,(H,18,21)
InChIKey AOUQPNORBBMBFM-UHFFFAOYSA-N
Molecular Weight 360.211 g/mol
SMILES N(CC=1OC=CC1)C(C1=CC=C(CN2N=CC(=C2)Br)C=C1)=O