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Ethanone, 2-(4,5-diphenyl-3H-1,2-dithiol-3-ylidene)-1,2-diphenyl-

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Ethanone, 2-(4,5-diphenyl-3H-1,2-dithiol-3-ylidene)-1,2-diphenyl-
SpectraBase Compound ID DFI66fwD2Ky
InChI InChI=1S/C29H20OS2/c30-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-26(22-15-7-2-8-16-22)28(31-32-29)24-19-11-4-12-20-24/h1-20H/b29-25+
InChIKey SVTOFFFIJXOSPP-XLVZBRSZSA-N
Mol Weight 448.6 g/mol
Molecular Formula C29H20OS2
Exact Mass 448.095558 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQbq1HMiW11
Name Ethanone, 2-(4,5-diphenyl-3H-1,2-dithiol-3-ylidene)-1,2-diphenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.095557611 u
Formula C29H20OS2
InChI InChI=1S/C29H20OS2/c30-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-26(22-15-7-2-8-16-22)28(31-32-29)24-19-11-4-12-20-24/h1-20H/b29-25+
InChIKey SVTOFFFIJXOSPP-XLVZBRSZSA-N
Molecular Weight 448.598 g/mol
SMILES C(\C(=C/1C(=C(C2=CC=CC=C2)SS1)C1=CC=CC=C1)C1=CC=CC=C1)(=O)C1=CC=CC=C1