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10-(4-TRIFLUOROMETHYLBENZENESULFONYL)-4-OXA-3-THIA-2,10-DIAZA-BICYCLO-[4.3.1]-DECANE-3,3-DIOXIDE
SpectraBase Compound ID DNNDx8qUjoD
InChI InChI=1S/C13H15F3N2O5S2/c14-13(15,16)9-4-6-11(7-5-9)24(19,20)18-10-2-1-3-12(18)17-25(21,22)23-8-10/h4-7,10,12,17H,1-3,8H2/t10-,12+/m0/s1
InChIKey QRBNYMKELLXKQJ-CMPLNLGQSA-N
Mol Weight 400.39 g/mol
Molecular Formula C13H15F3N2O5S2
Exact Mass 400.037448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3A9OzdeMCpQ
Name 10-(4-TRIFLUOROMETHYLBENZENESULFONYL)-4-OXA-3-THIA-2,10-DIAZA-BICYCLO-[4.3.1]-DECANE-3,3-DIOXIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15F3N2O5S2
InChI InChI=1S/C13H15F3N2O5S2/c14-13(15,16)9-4-6-11(7-5-9)24(19,20)18-10-2-1-3-12(18)17-25(21,22)23-8-10/h4-7,10,12,17H,1-3,8H2/t10-,12+/m0/s1
InChIKey QRBNYMKELLXKQJ-CMPLNLGQSA-N
Literature Reference Author S.TOUMIEUX,P.COMPAIN,O.R.MARTIN,M.SELKTI
Literature Reference Citation ORG.LETTERS,8,4493(2006)
Literature Reference DOI 10.1021/ol061649x
Molecular Weight 400.388 g/mol
Sample ID 61604
Solvent ACETONE-D6