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5-PHENYL-3-OXA-9-THIA-4-AZATRICYCLO-[5.3.0.0-(2.6)]-DEC-4-ENE_9,9-DIOXIDE
SpectraBase Compound ID HHIsQElwuqR
InChI InChI=1S/C13H13NO3S/c15-18(16)6-9-10(7-18)13-11(9)12(14-17-13)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2
InChIKey JKHPUTFUIXCXEW-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C13H13NO3S
Exact Mass 263.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXCOW1jfHfw
Name 5-PHENYL-3-OXA-9-THIA-4-AZATRICYCLO-[5.3.0.0-(2.6)]-DEC-4-ENE_9,9-DIOXIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO3S
InChI InChI=1S/C13H13NO3S/c15-18(16)6-9-10(7-18)13-11(9)12(14-17-13)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2
InChIKey JKHPUTFUIXCXEW-UHFFFAOYSA-N
Literature Reference Author R.A.AITKEN,J.I.G.CADOGAN,I.GOSNEY,C.M.HUMPHRIES,L.M.MCLAUGHL IN,S.J.WYSE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,605(1999)
Literature Reference DOI 10.1039/a809326a
Molecular Weight 263.311 g/mol
Solvent DMSO-D6
Source File Reference UWMZ11404