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N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID GIPe6oJfpSU
InChI InChI=1S/C17H16N4O2/c1-22-17-9-15(10-20-21-12-18-19-13-21)7-8-16(17)23-11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3/b20-10+
InChIKey WLISNYPSQRCRJY-KEBDBYFISA-N
Mol Weight 308.34 g/mol
Molecular Formula C17H16N4O2
Exact Mass 308.127326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TsbRLDhyvH
Name N-{(E)-[4-(Benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 308.127325769 u
Formula C17H16N4O2
InChI InChI=1S/C17H16N4O2/c1-22-17-9-15(10-20-21-12-18-19-13-21)7-8-16(17)23-11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3/b20-10+
InChIKey WLISNYPSQRCRJY-KEBDBYFISA-N
Molecular Weight 308.341 g/mol
SMILES C1=CC=C(COC=2C=CC(=CC2OC)\C=N\N2C=NN=C2)C=C1