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2-{3-[(E)-2-(2-chlorophenyl)ethenyl]-1-methyl-1H-1,2,4-triazol-5-yl}phenol
SpectraBase Compound ID B0AbPqdZbZz
InChI InChI=1S/C17H14ClN3O/c1-21-17(13-7-3-5-9-15(13)22)19-16(20-21)11-10-12-6-2-4-8-14(12)18/h2-11,22H,1H3/b11-10+
InChIKey MKVCXACOVZZYQM-ZHACJKMWSA-N
Mol Weight 311.77 g/mol
Molecular Formula C17H14ClN3O
Exact Mass 311.08254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FF7dx36Yxg3
Name 2-{3-[(E)-2-(2-Chlorophenyl)ethenyl]-1-methyl-1H-1,2,4-triazol-5-yl}phenol
Comments Computed using HOSE algorithm
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Exact Mass 311.082539782 u
Formula C17H14ClN3O
InChI InChI=1S/C17H14ClN3O/c1-21-17(13-7-3-5-9-15(13)22)19-16(20-21)11-10-12-6-2-4-8-14(12)18/h2-11,22H,1H3/b11-10+
InChIKey MKVCXACOVZZYQM-ZHACJKMWSA-N
Molecular Weight 311.772 g/mol
SMILES C=1(C=CC=CC1Cl)\C=C\C1=NN(C(=N1)C=1C=CC=CC1O)C