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SPIRO-[4-(N,N-DIMETHYLDITHIOCARBAMATO)-2-(N,N-DIMETHYLIMINO)-1,3-DITHIOLANE-5,9'-XANTHENE]-HEXAFLUOROPHOSPHATE
SpectraBase Compound ID 5yB6A2sgBxi
InChI InChI=1S/C20H21N2OS4.F6P/c1-21(2)18(24)25-17-20(27-19(26-17)22(3)4)13-9-5-7-11-15(13)23-16-12-8-6-10-14(16)20;1-7(2,3,4,5)6/h5-12,17H,1-4H3;/q+1;-1
InChIKey XPXZRWWCHCQYNI-UHFFFAOYSA-N
Mol Weight 578.6 g/mol
Molecular Formula C20H21F6N2OPS4
Exact Mass 578.017854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7gmX0zYMgV
Name SPIRO-[4-(N,N-DIMETHYLDITHIOCARBAMATO)-2-(N,N-DIMETHYLIMINO)-1,3-DITHIOLANE-5,9'-XANTHENE]-HEXAFLUOROPHOSPHATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21F6N2OPS4
InChI InChI=1S/C20H21N2OS4.F6P/c1-21(2)18(24)25-17-20(27-19(26-17)22(3)4)13-9-5-7-11-15(13)23-16-12-8-6-10-14(16)20;1-7(2,3,4,5)6/h5-12,17H,1-4H3;/q+1;-1
InChIKey XPXZRWWCHCQYNI-UHFFFAOYSA-N
Literature Reference Author L.B.AUBIN,T.M.WAGNER,J.D.THOBURN,B.S.KESLER,K.A.HUTCHISON,R. R.SCHUMAKER,J.P.PARA
Literature Reference Citation ORG.LETTERS,3,3413(2001)
Literature Reference DOI 10.1021/ol016671z
Molecular Weight 578.604 g/mol
Solvent ACETONE-D6
Source File Reference UWLU35785