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1,3,6-TRICHLORO-5,6-DIHYDRO-4H-CYCLOPENTA-[C]-THIOPHEN-4-ONE
SpectraBase Compound ID 77ADbl5LntE
InChI InChI=1S/C7H3Cl3OS/c8-2-1-3(11)5-4(2)6(9)12-7(5)10/h2H,1H2
InChIKey HQIUNWVVIXWUNN-UHFFFAOYSA-N
Mol Weight 241.52 g/mol
Molecular Formula C7H3Cl3OS
Exact Mass 239.897019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Caic6pBXR0L
Name 1,3,6-TRICHLORO-5,6-DIHYDRO-4H-CYCLOPENTA-[C]-THIOPHEN-4-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H3Cl3OS
InChI InChI=1S/C7H3Cl3OS/c8-2-1-3(11)5-4(2)6(9)12-7(5)10/h2H,1H2
InChIKey HQIUNWVVIXWUNN-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 241.519 g/mol
Solvent CDCl3
Source File Reference UWVN28434