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2,3-TRANS-3,4-TRANS-2,3-DIBENZOYL-4-PHENYL-3,4-DIHYDRO-2H-THIAPYRAN-1-OXIDE

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2,3-TRANS-3,4-TRANS-2,3-DIBENZOYL-4-PHENYL-3,4-DIHYDRO-2H-THIAPYRAN-1-OXIDE
SpectraBase Compound ID 676o1xYe0R2
InChI InChI=1S/C25H20O3S/c26-23(19-12-6-2-7-13-19)22-21(18-10-4-1-5-11-18)16-17-29(28)25(22)24(27)20-14-8-3-9-15-20/h1-17,21-22,25H/t21-,22+,25-,29?/m1/s1
InChIKey RJJAGXRCVKCAIO-VXGKIENKSA-N
Mol Weight 400.49 g/mol
Molecular Formula C25H20O3S
Exact Mass 400.113316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsA3tI12S5G
Name 2,3-TRANS-3,4-TRANS-2,3-DIBENZOYL-4-PHENYL-3,4-DIHYDRO-2H-THIAPYRAN-1-OXIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H20O3S
InChI InChI=1S/C25H20O3S/c26-23(19-12-6-2-7-13-19)22-21(18-10-4-1-5-11-18)16-17-29(28)25(22)24(27)20-14-8-3-9-15-20/h1-17,21-22,25H/t21-,22+,25-,29?/m1/s1
InChIKey RJJAGXRCVKCAIO-VXGKIENKSA-N
Literature Reference Author S.BRAVERMAN,D.GRINSTEIN,H.E.GOTTLIEB
Literature Reference Citation J.CHEM.SOC.PERKIN-1,103(1998)
Literature Reference DOI 10.1039/a704473i
Molecular Weight 400.492 g/mol
Solvent CDCl3