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4-(5-(Naphthalen-1-ylamino)-1,3,4-thiadiazol-2-yl)benzene-1,3-diol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(5-(Naphthalen-1-ylamino)-1,3,4-thiadiazol-2-yl)benzene-1,3-diol
SpectraBase Compound ID DVfe3fY1MFR
InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-20-21-18(24-17)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,19,21)
InChIKey JWEWJNUAVHUICT-UHFFFAOYSA-N
Mol Weight 335.38 g/mol
Molecular Formula C18H13N3O2S
Exact Mass 335.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6l7hy41RxaL
Name 4-(5-(Naphthalen-1-ylamino)-1,3,4-thiadiazol-2-yl)benzene-1,3-diol
Comments Computed using HOSE algorithm
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Exact Mass 335.072847843 u
Formula C18H13N3O2S
InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-20-21-18(24-17)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,19,21)
InChIKey JWEWJNUAVHUICT-UHFFFAOYSA-N
Molecular Weight 335.381 g/mol
SMILES C=1C(=CC=C(C2=NN=C(NC3=CC=CC=4C3=CC=CC4)S2)C1O)O