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4,4'-[1,3-PROPANE-DIYL-BIS-(THIO)-BIS-[2,5-DIHYDRO-2,2,5,5-TETRAKIS-(TRIFLUOROMETHYL)-THIAZOLE]
SpectraBase Compound ID 4AEP5l2WZpH
InChI InChI=1S/C17H6F24N2S4/c18-10(19,20)6(11(21,22)23)4(42-8(46-6,14(30,31)32)15(33,34)35)44-2-1-3-45-5-7(12(24,25)26,13(27,28)29)47-9(43-5,16(36,37)38)17(39,40)41/h1-3H2
InChIKey QCMKZWMIUMCFMF-UHFFFAOYSA-N
Mol Weight 822.5 g/mol
Molecular Formula C17H6F24N2S4
Exact Mass 821.903059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARD8QmCOUsC
Name 4,4'-[1,3-PROPANE-DIYL-BIS-(THIO)-BIS-[2,5-DIHYDRO-2,2,5,5-TETRAKIS-(TRIFLUOROMETHYL)-THIAZOLE]
CAS Registry Number 124177-39-5
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H6F24N2S4
InChI InChI=1S/C17H6F24N2S4/c18-10(19,20)6(11(21,22)23)4(42-8(46-6,14(30,31)32)15(33,34)35)44-2-1-3-45-5-7(12(24,25)26,13(27,28)29)47-9(43-5,16(36,37)38)17(39,40)41/h1-3H2
InChIKey QCMKZWMIUMCFMF-UHFFFAOYSA-N
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 822.450 g/mol
Solvent CDCl3
Source File Reference UWCS13561