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3-PHENYLSULFONYL-2-CHLORO-4,4-ETHYLENEDIOXYCYCLOPENT-2-EN-1-ONE
SpectraBase Compound ID BT7K6STo6q3
InChI InChI=1S/C13H11ClO5S/c14-11-10(15)8-13(18-6-7-19-13)12(11)20(16,17)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey NVRWAXCKAZOEAL-UHFFFAOYSA-N
Mol Weight 314.74 g/mol
Molecular Formula C13H11ClO5S
Exact Mass 314.001572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46AdtYJZ92E
Name 3-PHENYLSULFONYL-2-CHLORO-4,4-ETHYLENEDIOXYCYCLOPENT-2-EN-1-ONE
Compound Number V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClO5S
InChI InChI=1S/C13H11ClO5S/c14-11-10(15)8-13(18-6-7-19-13)12(11)20(16,17)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey NVRWAXCKAZOEAL-UHFFFAOYSA-N
Literature Reference Author N.A.IVANOVA,F.G.SHANGIRAEVA,M.S.MIFTAKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1652(2003)
Literature Reference DOI 10.1023/B:RUJO.0000013142.41402.19
Molecular Weight 314.740 g/mol
Solvent CDCl3
Source File Reference UWMZ23330