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8,9-BENZO-10-(TOLUENE-4-SULFONYL)-4-OXA-3-THIA-2,10-DIAZA-BICYCLO-[4.3.1]-DECANE-3,3-DIOXIDE
SpectraBase Compound ID 1uQkvgL1zqP
InChI InChI=1S/C17H18N2O5S2/c1-12-6-8-15(9-7-12)25(20,21)19-14-10-13-4-2-3-5-16(13)17(19)18-26(22,23)24-11-14/h2-9,14,17-18H,10-11H2,1H3/t14-,17+/m0/s1
InChIKey XLGOEVMKYNYXEU-WMLDXEAASA-N
Mol Weight 394.46 g/mol
Molecular Formula C17H18N2O5S2
Exact Mass 394.065714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwdRtOVboM7
Name 8,9-BENZO-10-(TOLUENE-4-SULFONYL)-4-OXA-3-THIA-2,10-DIAZA-BICYCLO-[4.3.1]-DECANE-3,3-DIOXIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N2O5S2
InChI InChI=1S/C17H18N2O5S2/c1-12-6-8-15(9-7-12)25(20,21)19-14-10-13-4-2-3-5-16(13)17(19)18-26(22,23)24-11-14/h2-9,14,17-18H,10-11H2,1H3/t14-,17+/m0/s1
InChIKey XLGOEVMKYNYXEU-WMLDXEAASA-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 394.460 g/mol
Sample ID 61610
Solvent ACETONE-D6