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N-Benzyl-2-[5-(4-nitrophenyl)-2H-1,2,4-triazol-3-yl]acetamide

View entire compound with spectra: 2 NMR

N-Benzyl-2-[5-(4-nitrophenyl)-2H-1,2,4-triazol-3-yl]acetamide
SpectraBase Compound ID 3XN5DsvIig
InChI InChI=1S/C17H15N5O3/c23-16(18-11-12-4-2-1-3-5-12)10-15-19-17(21-20-15)13-6-8-14(9-7-13)22(24)25/h1-9H,10-11H2,(H,18,23)(H,19,20,21)
InChIKey RYTNXPFBMPKLRS-UHFFFAOYSA-N
Mol Weight 337.34 g/mol
Molecular Formula C17H15N5O3
Exact Mass 337.117489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbJhjX9aRnH
Name N-Benzyl-2-[5-(4-nitrophenyl)-2H-1,2,4-triazol-3-yl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 337.117489360 u
Formula C17H15N5O3
InChI InChI=1S/C17H15N5O3/c23-16(18-11-12-4-2-1-3-5-12)10-15-19-17(21-20-15)13-6-8-14(9-7-13)22(24)25/h1-9H,10-11H2,(H,18,23)(H,19,20,21)
InChIKey RYTNXPFBMPKLRS-UHFFFAOYSA-N
Molecular Weight 337.339 g/mol
SMILES C1=CC=C(C=C1)CNC(CC1=NC(=NN1)C1=CC=C(N(=O)=O)C=C1)=O