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N-((E)-{3-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID DhFa0d0T2ob
InChI InChI=1S/C18H18N4O2/c1-15-5-7-17(8-6-15)23-9-10-24-18-4-2-3-16(11-18)12-21-22-13-19-20-14-22/h2-8,11-14H,9-10H2,1H3/b21-12+
InChIKey MUZXWNFPRJKPDP-CIAFOILYSA-N
Mol Weight 322.37 g/mol
Molecular Formula C18H18N4O2
Exact Mass 322.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0GHoLLVQ5C
Name N-((E)-{3-[2-(4-Methylphenoxy)ethoxy]phenyl}methylidene)-4H-1,2,4-triazol-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 322.142975834 u
Formula C18H18N4O2
InChI InChI=1S/C18H18N4O2/c1-15-5-7-17(8-6-15)23-9-10-24-18-4-2-3-16(11-18)12-21-22-13-19-20-14-22/h2-8,11-14H,9-10H2,1H3/b21-12+
InChIKey MUZXWNFPRJKPDP-CIAFOILYSA-N
Molecular Weight 322.368 g/mol
SMILES CC1=CC=C(OCCOC=2C=C(\C=N\N3C=NN=C3)C=CC2)C=C1