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5-(2,5-DIHYDRO-1,1-DIOXO-THIEN-2-YL)-[1.2-13C2]-PENT-1-YN-3-ONE
SpectraBase Compound ID 6YoOfEGY0mD
InChI InChI=1S/C9H10O3S/c1-2-8(10)5-6-9-4-3-7-13(9,11)12/h1,3-4,9H,5-7H2/i1+1,2+1
InChIKey BZHPHPPFTULXDB-ZDOIIHCHSA-N
Mol Weight 200.22 g/mol
Molecular Formula C713C2H10O3S
Exact Mass 200.041775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDIV1qoK2fn
Name 5-(2,5-DIHYDRO-1,1-DIOXO-THIEN-2-YL)-[1.2-13C2]-PENT-1-YN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C713C2H10O3S
InChI InChI=1S/C9H10O3S/c1-2-8(10)5-6-9-4-3-7-13(9,11)12/h1,3-4,9H,5-7H2/i1+1,2+1
InChIKey BZHPHPPFTULXDB-ZDOIIHCHSA-N
Literature Reference Author M.BARRY,R.F.C.BROWN,F.W.EASTWOOD,D.A.GUNAWARDANA,C.VOGEL
Literature Reference Citation AUSTR.J.CHEM.,37,1643(1984)
Literature Reference DOI 10.1071/CH9841643
Molecular Weight 200.221 g/mol
Solvent CDCl3
Source File Reference UWWR930