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N-(2-Phenylethyl)-2-[5-(pyridin-3-yl)-1H-1,2,4-triazol-3-yl]acetamide
SpectraBase Compound ID Gv3L1dCn7ke
InChI InChI=1S/C17H17N5O/c23-16(19-10-8-13-5-2-1-3-6-13)11-15-20-17(22-21-15)14-7-4-9-18-12-14/h1-7,9,12H,8,10-11H2,(H,19,23)(H,20,21,22)
InChIKey FUBGJCCXSWOMLG-UHFFFAOYSA-N
Mol Weight 307.36 g/mol
Molecular Formula C17H17N5O
Exact Mass 307.14331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9dUc9lwiQf3
Name N-(2-Phenylethyl)-2-[5-(pyridin-3-yl)-1H-1,2,4-triazol-3-yl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 307.143310186 u
Formula C17H17N5O
InChI InChI=1S/C17H17N5O/c23-16(19-10-8-13-5-2-1-3-6-13)11-15-20-17(22-21-15)14-7-4-9-18-12-14/h1-7,9,12H,8,10-11H2,(H,19,23)(H,20,21,22)
InChIKey FUBGJCCXSWOMLG-UHFFFAOYSA-N
Molecular Weight 307.357 g/mol
SMILES C1=CC=C(C=C1)CCNC(CC=1N=C(NN1)C1=CN=CC=C1)=O