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2-{3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
SpectraBase Compound ID I49OMHhyUFr
InChI InChI=1S/C22H16ClN3O/c23-17-13-10-16(11-14-17)12-15-21-24-22(19-8-4-5-9-20(19)27)26(25-21)18-6-2-1-3-7-18/h1-15,27H/b15-12+
InChIKey SRUAPPSVDABXAX-NTCAYCPXSA-N
Mol Weight 373.84 g/mol
Molecular Formula C22H16ClN3O
Exact Mass 373.09819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LA9mCYK0ps4
Name 2-{3-[(E)-2-(4-Chlorophenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
Comments Computed using HOSE algorithm
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Exact Mass 373.098189846 u
Formula C22H16ClN3O
InChI InChI=1S/C22H16ClN3O/c23-17-13-10-16(11-14-17)12-15-21-24-22(19-8-4-5-9-20(19)27)26(25-21)18-6-2-1-3-7-18/h1-15,27H/b15-12+
InChIKey SRUAPPSVDABXAX-NTCAYCPXSA-N
Molecular Weight 373.843 g/mol
SMILES OC1=C(C=2N(N=C(N2)\C=C\C2=CC=C(C=C2)Cl)C=2C=CC=CC2)C=CC=C1