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

View entire compound with spectra: 2 NMR

4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
SpectraBase Compound ID EIMPosNltao
InChI InChI=1S/C18H16BrN3O2/c1-24-17-5-3-2-4-16(17)21-18(23)14-8-6-13(7-9-14)11-22-12-15(19)10-20-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKey KPQNHCLEBYHQFW-UHFFFAOYSA-N
Mol Weight 386.25 g/mol
Molecular Formula C18H16BrN3O2
Exact Mass 385.04259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6m6GOE3JRej
Name 4-[(4-Bromo-1H-pyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 385.042589765 u
Formula C18H16BrN3O2
InChI InChI=1S/C18H16BrN3O2/c1-24-17-5-3-2-4-16(17)21-18(23)14-8-6-13(7-9-14)11-22-12-15(19)10-20-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKey KPQNHCLEBYHQFW-UHFFFAOYSA-N
Molecular Weight 386.249 g/mol
SMILES N(C(C1=CC=C(CN2N=CC(=C2)Br)C=C1)=O)C1=C(OC)C=CC=C1