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DIMETHYL-6-OXO-5,6-DIHYDRO-4H-CYCLOPENTA-[C]-THIEN-4-AMMONIUM-CHLORIDE
SpectraBase Compound ID 7Le61um9jJy
InChI InChI=1S/C9H11NOS.ClH/c1-4-8-6(10)3-7(11)9(8)5(2)12-4;/h6H,3,10H2,1-2H3;1H
InChIKey QMBMRVQIBAHFCJ-UHFFFAOYSA-N
Mol Weight 217.71 g/mol
Molecular Formula C9H12ClNOS
Exact Mass 217.032813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXKs8fZkVVs
Name DIMETHYL-6-OXO-5,6-DIHYDRO-4H-CYCLOPENTA-[C]-THIEN-4-AMMONIUM-CHLORIDE
Compound Number 1G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12ClNOS
InChI InChI=1S/C9H11NOS.ClH/c1-4-8-6(10)3-7(11)9(8)5(2)12-4;/h6H,3,10H2,1-2H3;1H
InChIKey QMBMRVQIBAHFCJ-UHFFFAOYSA-N
Literature Reference Author P.DALLEMAGNE,L.P.KHANH,A.ALSAIEDI,O.RENAULT,I.VARLET,V.COLLO T,R.BUREAU,S.RAULT
Literature Reference Citation BIOORG.MED.CHEM.,10,2185(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00070-6
Molecular Weight 217.713 g/mol
Solvent DMSO-D6
Source File Reference UWVN28431