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4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide

View entire compound with spectra: 2 NMR

4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide
SpectraBase Compound ID EwIjtmLaGG
InChI InChI=1S/C17H12Cl3N3O/c18-13-8-21-23(10-13)9-11-1-3-12(4-2-11)17(24)22-14-5-6-15(19)16(20)7-14/h1-8,10H,9H2,(H,22,24)
InChIKey KRWQYZGBACGEQI-UHFFFAOYSA-N
Mol Weight 380.66 g/mol
Molecular Formula C17H12Cl3N3O
Exact Mass 379.004595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InwzBZOgzbw
Name 4-[(4-Chloro-1H-pyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 379.004595117 u
Formula C17H12Cl3N3O
InChI InChI=1S/C17H12Cl3N3O/c18-13-8-21-23(10-13)9-11-1-3-12(4-2-11)17(24)22-14-5-6-15(19)16(20)7-14/h1-8,10H,9H2,(H,22,24)
InChIKey KRWQYZGBACGEQI-UHFFFAOYSA-N
Molecular Weight 380.662 g/mol
SMILES N(C(C1=CC=C(CN2N=CC(=C2)Cl)C=C1)=O)C1=CC(Cl)=C(C=C1)Cl