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

View entire compound with spectra: 2 NMR

N-(2-bromo-4-methylphenyl)-4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamide
SpectraBase Compound ID IHJp6RQrFqY
InChI InChI=1S/C18H15Br2N3O/c1-12-2-7-17(16(20)8-12)22-18(24)14-5-3-13(4-6-14)10-23-11-15(19)9-21-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKey NZPLKPACTANLJW-UHFFFAOYSA-N
Mol Weight 449.15 g/mol
Molecular Formula C18H15Br2N3O
Exact Mass 446.958188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DV5LItNxTTn
Name N-(2-Bromo-4-methylphenyl)-4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 446.958188114 u
Formula C18H15Br2N3O
InChI InChI=1S/C18H15Br2N3O/c1-12-2-7-17(16(20)8-12)22-18(24)14-5-3-13(4-6-14)10-23-11-15(19)9-21-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKey NZPLKPACTANLJW-UHFFFAOYSA-N
Molecular Weight 449.146 g/mol
SMILES N(C=1C(=CC(=CC1)C)Br)C(C1=CC=C(CN2N=CC(=C2)Br)C=C1)=O