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MIXTURE_OF_ISOMERS

View entire compound with spectra: 1 NMR

MIXTURE_OF_ISOMERS
SpectraBase Compound ID 5JXvwBIvDRY
InChI InChI=1S/2C10H11S2.4C8H16O4.2Li/c2*1-2-5-9(6-3-1)10-11-7-4-8-12-10;4*1-2-10-5-6-12-8-7-11-4-3-9-1;;/h2*1-3,5-6H,4,7-8H2;4*1-8H2;;
InChIKey CJCMQXBIIUVAPA-UHFFFAOYSA-N
Mol Weight 1109.4 g/mol
Molecular Formula C52H86Li2O16S4
Exact Mass 1108.511878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyDnl34TzXZ
Name MIXTURE_OF_ISOMERS
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H86Li2O16S4
InChI InChI=1S/2C10H11S2.4C8H16O4.2Li/c2*1-2-5-9(6-3-1)10-11-7-4-8-12-10;4*1-2-10-5-6-12-8-7-11-4-3-9-1;;/h2*1-3,5-6H,4,7-8H2;4*1-8H2;;
InChIKey CJCMQXBIIUVAPA-UHFFFAOYSA-N
Literature Reference Author M.KUEHNEN,H.GUENTHER,J.P.AMOUREUX,C.FERNANDEZ
Literature Reference Citation MAGN.RES.CHEM.,40,24(2002)
Literature Reference DOI 10.1002/mrc.980
Molecular Weight 1109.367 g/mol
Solvent SOLID-STATE
Source File Reference UWMZ21266