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2,5-Bis(hydroxydiphenylmethyl)thieno[3,2-b]thiophene
SpectraBase Compound ID LIYm0HgFDV7
InChI InChI=1S/C32H24O2S2/c33-31(23-13-5-1-6-14-23,24-15-7-2-8-16-24)29-21-27-28(35-29)22-30(36-27)32(34,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,33-34H
InChIKey GWZJMEDNEAROCN-UHFFFAOYSA-N
Mol Weight 504.7 g/mol
Molecular Formula C32H24O2S2
Exact Mass 504.121772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlZ324vQsR9
Name 2,5-bis(Hydroxydiphenylmethyl)thieno[3,2-B]thiophene
Comments Computed using HOSE algorithm
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Exact Mass 504.121772359 u
Formula C32H24O2S2
InChI InChI=1S/C32H24O2S2/c33-31(23-13-5-1-6-14-23,24-15-7-2-8-16-24)29-21-27-28(35-29)22-30(36-27)32(34,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,33-34H
InChIKey GWZJMEDNEAROCN-UHFFFAOYSA-N
Molecular Weight 504.662 g/mol
SMILES C12=C(C=C(S2)C(C=2C=CC=CC2)(C=2C=CC=CC2)O)SC(=C1)C(C=1C=CC=CC1)(C=1C=CC=CC1)O