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1-(3-Chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID ABOIL8Kf1LO
InChI InChI=1S/C17H15ClN4O2/c1-24-15-7-5-12(6-8-15)10-19-17(23)16-11-22(21-20-16)14-4-2-3-13(18)9-14/h2-9,11H,10H2,1H3,(H,19,23)
InChIKey DOMSHRDSBFDZEJ-UHFFFAOYSA-N
Mol Weight 342.79 g/mol
Molecular Formula C17H15ClN4O2
Exact Mass 342.088353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5VPSuNNU0u
Name 1-(3-Chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 342.088353437 u
Formula C17H15ClN4O2
InChI InChI=1S/C17H15ClN4O2/c1-24-15-7-5-12(6-8-15)10-19-17(23)16-11-22(21-20-16)14-4-2-3-13(18)9-14/h2-9,11H,10H2,1H3,(H,19,23)
InChIKey DOMSHRDSBFDZEJ-UHFFFAOYSA-N
Molecular Weight 342.786 g/mol
SMILES COC=1C=CC(=CC1)CNC(C1=CN(C2=CC=CC(=C2)Cl)N=N1)=O