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2,5-DIHYDRO-4-MERCAPTO-2,2,5,5-TETRAKIS-(TRIFLUOROMETHYL)-THIAZOLE-POTASSIUM-DIMETHOXYETHANE-SOLVATE
SpectraBase Compound ID 4xAMeVJ5Vs5
InChI InChI=1S/C7HF12NS2.C4H10O2.K/c8-4(9,10)2(5(11,12)13)1(21)20-3(22-2,6(14,15)16)7(17,18)19;1-5-3-4-6-2;/h(H,20,21);3-4H2,1-2H3;/q;;+1/p-1
InChIKey LJDOYJQSOHWGCB-UHFFFAOYSA-M
Mol Weight 519.41 g/mol
Molecular Formula C11H10F12KNO2S2
Exact Mass 518.95984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8anMzOQGp2A
Name 2,5-DIHYDRO-4-MERCAPTO-2,2,5,5-TETRAKIS-(TRIFLUOROMETHYL)-THIAZOLE-POTASSIUM-DIMETHOXYETHANE-SOLVATE
CAS Registry Number 124199-96-8
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10F12KNO2S2
InChI InChI=1S/C7HF12NS2.C4H10O2.K/c8-4(9,10)2(5(11,12)13)1(21)20-3(22-2,6(14,15)16)7(17,18)19;1-5-3-4-6-2;/h(H,20,21);3-4H2,1-2H3;/q;;+1/p-1
InChIKey LJDOYJQSOHWGCB-UHFFFAOYSA-M
Literature Reference Author J.SUNDERMEYER,H.W.ROESKY,J.LAUTNER,P.G.JONES
Literature Reference Citation CHEM.BER.,123,433(1990)
Literature Reference DOI 10.1002/cber.19901230304
Molecular Weight 519.405 g/mol
Solvent CD3CN
Source File Reference UWCS13556