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3-CHLORO-1,5-BENZODITHIEPINE;KONFORMER-(CE)

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3-CHLORO-1,5-BENZODITHIEPINE;KONFORMER-(CE)
SpectraBase Compound ID KyPBCMKo7fA
InChI InChI=1S/C9H9ClS2/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4,7H,5-6H2
InChIKey WBHFTTRQKBSLLF-UHFFFAOYSA-N
Mol Weight 216.74 g/mol
Molecular Formula C9H9ClS2
Exact Mass 215.98342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXr8P8b0koO
Name 3-CHLORO-1,5-BENZODITHIEPINE;KONFORMER-(TB)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9ClS2
InChI InChI=1S/C9H9ClS2/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4,7H,5-6H2
InChIKey WBHFTTRQKBSLLF-UHFFFAOYSA-N
Literature Reference Author P.DIONNE,M.ST-JACQUES
Literature Reference Citation CAN.J.CHEM.,68,513(1990)
Literature Reference DOI 10.1139/v90-079
Molecular Weight 216.743 g/mol
Solvent CHClF2
Source File Reference UWED9630