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Hexakis(4,5-benzo-1,3-dithiol-2-ylidene)-cyclohexane isomer 1

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Hexakis(4,5-benzo-1,3-dithiol-2-ylidene)-cyclohexane isomer 1
SpectraBase Compound ID 2RCm2GH05zz
InChI InChI=1S/C48H24S12/c1-2-14-26-25(13-1)49-43(50-26)37-38(44-51-27-15-3-4-16-28(27)52-44)40(46-55-31-19-7-8-20-32(31)56-46)42(48-59-35-23-11-12-24-36(35)60-48)41(47-57-33-21-9-10-22-34(33)58-47)39(37)45-53-29-17-5-6-18-30(29)54-45/h1-24H
InChIKey NBRYJWQCNDMSOO-UHFFFAOYSA-N
Mol Weight 985.4 g/mol
Molecular Formula C48H24S12
Exact Mass 983.852655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 102gPblbSgK
Name Hexakis(4,5-benzo-1,3-dithiol-2-ylidene)-cyclohexane isomer 1
CAS Registry Number 108591-97-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H24S12
InChI InChI=1S/C48H24S12/c1-2-14-26-25(13-1)49-43(50-26)37-38(44-51-27-15-3-4-16-28(27)52-44)40(46-55-31-19-7-8-20-32(31)56-46)42(48-59-35-23-11-12-24-36(35)60-48)41(47-57-33-21-9-10-22-34(33)58-47)39(37)45-53-29-17-5-6-18-30(29)54-45/h1-24H
InChIKey NBRYJWQCNDMSOO-UHFFFAOYSA-N
Literature Reference T. Sugimoto, Y, Misaki, T. Kajita, J. Am. Chem. Soc. 109, 4106 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3