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

View entire compound with spectra: 2 NMR

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2,3-dimethylphenyl)-2-furamide
SpectraBase Compound ID 5YbktOuM5gk
InChI InChI=1S/C17H16BrN3O2/c1-11-4-3-5-15(12(11)2)20-17(22)16-7-6-14(23-16)10-21-9-13(18)8-19-21/h3-9H,10H2,1-2H3,(H,20,22)
InChIKey HBOFPRKVHXULRL-UHFFFAOYSA-N
Mol Weight 374.24 g/mol
Molecular Formula C17H16BrN3O2
Exact Mass 373.04259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3x9qVIPvXWE
Name 5-[(4-Bromo-1H-pyrazol-1-yl)methyl]-N-(2,3-dimethylphenyl)-2-furamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.042589765 u
Formula C17H16BrN3O2
InChI InChI=1S/C17H16BrN3O2/c1-11-4-3-5-15(12(11)2)20-17(22)16-7-6-14(23-16)10-21-9-13(18)8-19-21/h3-9H,10H2,1-2H3,(H,20,22)
InChIKey HBOFPRKVHXULRL-UHFFFAOYSA-N
Molecular Weight 374.238 g/mol
SMILES N(C=1C(=C(C=CC1)C)C)C(C=1OC(CN2N=CC(=C2)Br)=CC1)=O