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N-(5-Amino-1-benzyl-1,2,4-triazol-3-yl)-N-benzylacetamide
SpectraBase Compound ID Cf5I5VU9znX
InChI InChI=1S/C18H19N5O/c1-14(24)22(12-15-8-4-2-5-9-15)18-20-17(19)23(21-18)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H2,19,20,21)
InChIKey AISVDPAJQJIUKR-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C18H19N5O
Exact Mass 321.15896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZ35LzgUiVN
Name N-(5-Amino-1-benzyl-1,2,4-triazol-3-yl)-N-benzylacetamide
Comments Computed using HOSE algorithm
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Exact Mass 321.158960251 u
Formula C18H19N5O
InChI InChI=1S/C18H19N5O/c1-14(24)22(12-15-8-4-2-5-9-15)18-20-17(19)23(21-18)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H2,19,20,21)
InChIKey AISVDPAJQJIUKR-UHFFFAOYSA-N
Molecular Weight 321.384 g/mol
SMILES C1=CC=CC=C1CN(C=1N=C(N)N(CC2=CC=CC=C2)N1)C(=O)C