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9,10-BENZO-7-(TOLUENE-4-SULFONYL)-4-OXA-3-THIA-2,7-DIAZA-BICYCLO-[4.4.0]-DECANE-3,3-DIOXIDE
SpectraBase Compound ID CGiDYLViTOz
InChI InChI=1S/C17H18N2O5S2/c1-12-6-8-14(9-7-12)25(20,21)19-10-13-4-2-3-5-15(13)17-16(19)11-24-26(22,23)18-17/h2-9,16-18H,10-11H2,1H3/t16-,17-/m1/s1
InChIKey MJCBFENTSOKKNV-IAGOWNOFSA-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 3ZQVwxL21vY
Name 9,10-BENZO-7-(TOLUENE-4-SULFONYL)-4-OXA-3-THIA-2,7-DIAZA-BICYCLO-[4.4.0]-DECANE-3,3-DIOXIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N2O5S2
InChI InChI=1S/C17H18N2O5S2/c1-12-6-8-14(9-7-12)25(20,21)19-10-13-4-2-3-5-15(13)17-16(19)11-24-26(22,23)18-17/h2-9,16-18H,10-11H2,1H3/t16-,17-/m1/s1
InChIKey MJCBFENTSOKKNV-IAGOWNOFSA-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 61609
Solvent ACETONE-D6