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4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(3,4-dimethoxyphenyl)benzamide

View entire compound with spectra: 2 NMR

4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(3,4-dimethoxyphenyl)benzamide
SpectraBase Compound ID 4cb5CfceGTW
InChI InChI=1S/C19H18BrN3O3/c1-25-17-8-7-16(9-18(17)26-2)22-19(24)14-5-3-13(4-6-14)11-23-12-15(20)10-21-23/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKey JONGOYMUOSEBMW-UHFFFAOYSA-N
Mol Weight 416.28 g/mol
Molecular Formula C19H18BrN3O3
Exact Mass 415.053154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOerhUFBsSV
Name 4-[(4-Bromo-1H-pyrazol-1-yl)methyl]-N-(3,4-dimethoxyphenyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.053154449 u
Formula C19H18BrN3O3
InChI InChI=1S/C19H18BrN3O3/c1-25-17-8-7-16(9-18(17)26-2)22-19(24)14-5-3-13(4-6-14)11-23-12-15(20)10-21-23/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKey JONGOYMUOSEBMW-UHFFFAOYSA-N
Molecular Weight 416.275 g/mol
SMILES N(C(C1=CC=C(CN2N=CC(=C2)Br)C=C1)=O)C1=CC(OC)=C(C=C1)OC