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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-chlorophenyl)-N-(2-phenylethyl)-
SpectraBase Compound ID EWRfKz8aEIr
InChI InChI=1S/C17H16ClN5O/c18-13-6-8-14(9-7-13)23-16(19)15(21-22-23)17(24)20-11-10-12-4-2-1-3-5-12/h1-9H,10-11,19H2,(H,20,24)
InChIKey MRTCTSQAKSQSMB-UHFFFAOYSA-N
Mol Weight 341.8 g/mol
Molecular Formula C17H16ClN5O
Exact Mass 341.104338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RdLbLTR414
Name 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(4-chlorophenyl)-N-(2-phenylethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 341.104337854 u
Formula C17H16ClN5O
InChI InChI=1S/C17H16ClN5O/c18-13-6-8-14(9-7-13)23-16(19)15(21-22-23)17(24)20-11-10-12-4-2-1-3-5-12/h1-9H,10-11,19H2,(H,20,24)
InChIKey MRTCTSQAKSQSMB-UHFFFAOYSA-N
SMILES N(C(C=1N=NN(C1N)C=1C=CC(=CC1)Cl)=O)CCC1=CC=CC=C1