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N-{(E)-[4-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine

View entire compound with spectra: 2 NMR

N-{(E)-[4-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID KlBmKpe7VTM
InChI InChI=1S/C17H16N4O2/c1-2-4-16(5-3-1)22-10-11-23-17-8-6-15(7-9-17)12-20-21-13-18-19-14-21/h1-9,12-14H,10-11H2/b20-12+
InChIKey UDEXZHATGWGODV-UDWIEESQSA-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 2C2QvVuo3Xl
Name N-{(E)-[4-(2-Phenoxyethoxy)phenyl]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/c1-2-4-16(5-3-1)22-10-11-23-17-8-6-15(7-9-17)12-20-21-13-18-19-14-21/h1-9,12-14H,10-11H2/b20-12+
InChIKey UDEXZHATGWGODV-UDWIEESQSA-N
Molecular Weight 308.341 g/mol
SMILES C1=CC=C(OCCOC2=CC=C(\C=N\N3C=NN=C3)C=C2)C=C1