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3-PHENYLSULFINYL-2-CHLORO-4,4-ETHYLENEDIOXYCYCLOPENT-2-EN-1-ONE
SpectraBase Compound ID AXv0tQcprDT
InChI InChI=1S/C13H11ClO4S/c14-11-10(15)8-13(17-6-7-18-13)12(11)19(16)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey NFPMEEINSATIJZ-UHFFFAOYSA-N
Mol Weight 298.74 g/mol
Molecular Formula C13H11ClO4S
Exact Mass 298.006658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j3wlukKi7Q
Name 3-PHENYLSULFINYL-2-CHLORO-4,4-ETHYLENEDIOXYCYCLOPENT-2-EN-1-ONE
Compound Number IV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClO4S
InChI InChI=1S/C13H11ClO4S/c14-11-10(15)8-13(17-6-7-18-13)12(11)19(16)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey NFPMEEINSATIJZ-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 298.741 g/mol
Solvent CDCl3
Source File Reference UWMZ23329