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

View entire compound with spectra: 2 NMR

Hexakis(4,5-dicarbomethoxy-1,3-dithiol-2-ylidene)-cyclohexane isomer 1
SpectraBase Compound ID KSRi7r0Ryju
InChI InChI=1S/C48H36O24S12/c1-61-31(49)19-20(32(50)62-2)74-43(73-19)13-14(44-75-21(33(51)63-3)22(76-44)34(52)64-4)16(46-79-25(37(55)67-7)26(80-46)38(56)68-8)18(48-83-29(41(59)71-11)30(84-48)42(60)72-12)17(47-81-27(39(57)69-9)28(82-47)40(58)70-10)15(13)45-77-23(35(53)65-5)24(78-45)36(54)66-6/h1-12H3
InChIKey UUKKDMVPUANIEK-UHFFFAOYSA-N
Mol Weight 1381.5 g/mol
Molecular Formula C48H36O24S12
Exact Mass 1379.824506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2K4PezIvpXM
Name Hexakis(4,5-dicarbomethoxy-1,3-dithiol-2-ylidene)-cyclohexane isomer 2
CAS Registry Number 108591-95-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H36O24S12
InChI InChI=1S/C48H36O24S12/c1-61-31(49)19-20(32(50)62-2)74-43(73-19)13-14(44-75-21(33(51)63-3)22(76-44)34(52)64-4)16(46-79-25(37(55)67-7)26(80-46)38(56)68-8)18(48-83-29(41(59)71-11)30(84-48)42(60)72-12)17(47-81-27(39(57)69-9)28(82-47)40(58)70-10)15(13)45-77-23(35(53)65-5)24(78-45)36(54)66-6/h1-12H3
InChIKey UUKKDMVPUANIEK-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