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2-(5-Phenyl-1H-1,2,4-triazol-3-yl)phenol
SpectraBase Compound ID 7TECPcdGayK
InChI InChI=1S/C14H11N3O/c18-12-9-5-4-8-11(12)14-15-13(16-17-14)10-6-2-1-3-7-10/h1-9,18H,(H,15,16,17)
InChIKey YTGNKUSFDPGOIS-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C14H11N3O
Exact Mass 237.090212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQntgDIszyp
Name 2-(5-Phenyl-1H-1,2,4-triazol-3-yl)phenol
Comments Computed using HOSE algorithm
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Exact Mass 237.090211985 u
Formula C14H11N3O
InChI InChI=1S/C14H11N3O/c18-12-9-5-4-8-11(12)14-15-13(16-17-14)10-6-2-1-3-7-10/h1-9,18H,(H,15,16,17)
InChIKey YTGNKUSFDPGOIS-UHFFFAOYSA-N
Molecular Weight 237.262 g/mol
SMILES C1(=NNC(=N1)C1=CC=CC=C1)C1=C(C=CC=C1)O