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9-HYDROXY-9-[BIS-(N,N-DIMETHYLDITHIOCARBAMATO)-METHYL]-XANTHENE
SpectraBase Compound ID EpHkwoFo9pu
InChI InChI=1S/C20H22N2O2S4/c1-21(2)18(25)27-17(28-19(26)22(3)4)20(23)13-9-5-7-11-15(13)24-16-12-8-6-10-14(16)20/h5-12,17,23H,1-4H3
InChIKey AHRGPADFWCYWCX-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C20H22N2O2S4
Exact Mass 450.056413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYbTxofM2Zx
Name 9-HYDROXY-9-[BIS-(N,N-DIMETHYLDITHIOCARBAMATO)-METHYL]-XANTHENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O2S4
InChI InChI=1S/C20H22N2O2S4/c1-21(2)18(25)27-17(28-19(26)22(3)4)20(23)13-9-5-7-11-15(13)24-16-12-8-6-10-14(16)20/h5-12,17,23H,1-4H3
InChIKey AHRGPADFWCYWCX-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 450.647 g/mol
Solvent ACETONE-D6
Source File Reference UWLU35783