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4-[5-(4-Trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl] benzene-1,3-diol
SpectraBase Compound ID GIq7LMwzMWv
InChI InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-8(2-4-9)13-19-20-14(23-13)11-6-5-10(21)7-12(11)22/h1-7,21-22H
InChIKey PBCQAAJDSLTJNM-UHFFFAOYSA-N
Mol Weight 338.3 g/mol
Molecular Formula C15H9F3N2O2S
Exact Mass 338.033683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6o25ACDCuT
Name 4-[5-(4-Trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl] benzene-1,3-diol
Comments Computed using HOSE algorithm
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Exact Mass 338.033683199 u
Formula C15H9F3N2O2S
InChI InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-8(2-4-9)13-19-20-14(23-13)11-6-5-10(21)7-12(11)22/h1-7,21-22H
InChIKey PBCQAAJDSLTJNM-UHFFFAOYSA-N
Molecular Weight 338.304 g/mol
SMILES C1(=NN=C(S1)C1=CC=C(C=C1)C(F)(F)F)C1=C(C=C(O)C=C1)O