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5-Chloranyl-N,1-bis[(4-chlorophenyl)methyl]-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID LCxHmepZOW3
InChI InChI=1S/C17H13Cl3N4O/c18-13-5-1-11(2-6-13)9-21-17(25)15-16(20)24(23-22-15)10-12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,21,25)
InChIKey NXCNVBDRPFCZKY-UHFFFAOYSA-N
Mol Weight 395.68 g/mol
Molecular Formula C17H13Cl3N4O
Exact Mass 394.015494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID k9VCupvoCL
Name 5-Chloranyl-N,1-bis[(4-chlorophenyl)methyl]-1,2,3-triazole-4-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 394.015494154 u
Formula C17H13Cl3N4O
InChI InChI=1S/C17H13Cl3N4O/c18-13-5-1-11(2-6-13)9-21-17(25)15-16(20)24(23-22-15)10-12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,21,25)
InChIKey NXCNVBDRPFCZKY-UHFFFAOYSA-N
Molecular Weight 395.677 g/mol
SMILES C1(=C(N(CC=2C=CC(=CC2)Cl)N=N1)Cl)C(NCC=1C=CC(=CC1)Cl)=O