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9-METHYL-8,10-DIOXO-4-THIA-9-AZATRICYCLO-[5.3.0.0-(2.6)]-DECANE_4,4-DIOXIDE
SpectraBase Compound ID LyQz4UCRQ25
InChI InChI=1S/C9H11NO4S/c1-10-8(11)6-4-2-15(13,14)3-5(4)7(6)9(10)12/h4-7H,2-3H2,1H3
InChIKey PHAJLGUYNRAZDA-UHFFFAOYSA-N
Mol Weight 229.25 g/mol
Molecular Formula C9H11NO4S
Exact Mass 229.040879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzMjoeN1P73
Name 9-METHYL-8,10-DIOXO-4-THIA-9-AZATRICYCLO-[5.3.0.0-(2.6)]-DECANE_4,4-DIOXIDE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NO4S
InChI InChI=1S/C9H11NO4S/c1-10-8(11)6-4-2-15(13,14)3-5(4)7(6)9(10)12/h4-7H,2-3H2,1H3
InChIKey PHAJLGUYNRAZDA-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 229.251 g/mol
Solvent DMSO-D6
Source File Reference UWMZ11406