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5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-2-furamide

View entire compound with spectra: 2 NMR

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-2-furamide
SpectraBase Compound ID 4NiAhhTeKWO
InChI InChI=1S/C16H11BrF3N3O2/c17-11-7-21-23(8-11)9-13-4-5-14(25-13)15(24)22-12-3-1-2-10(6-12)16(18,19)20/h1-8H,9H2,(H,22,24)
InChIKey NNYRRVMAQBTSTA-UHFFFAOYSA-N
Mol Weight 414.18 g/mol
Molecular Formula C16H11BrF3N3O2
Exact Mass 412.998674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaRnJZ3OH1n
Name 5-[(4-Bromo-1H-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 412.998674093 u
Formula C16H11BrF3N3O2
InChI InChI=1S/C16H11BrF3N3O2/c17-11-7-21-23(8-11)9-13-4-5-14(25-13)15(24)22-12-3-1-2-10(6-12)16(18,19)20/h1-8H,9H2,(H,22,24)
InChIKey NNYRRVMAQBTSTA-UHFFFAOYSA-N
Molecular Weight 414.182 g/mol
SMILES N(C=1C=C(C(F)(F)F)C=CC1)C(C=1OC(CN2N=CC(=C2)Br)=CC1)=O