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4,5-DICHLORO-ISOTHIAZOLE-3-CARBOXYLIC-ACID
SpectraBase Compound ID BDUvBFMhoUI
InChI InChI=1S/C4HCl2NO2S/c5-1-2(4(8)9)7-10-3(1)6/h(H,8,9)
InChIKey ZFEHQZVNKOESSZ-UHFFFAOYSA-N
Mol Weight 198.02 g/mol
Molecular Formula C4HCl2NO2S
Exact Mass 196.910505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vZbygxYdJ2
Name 4,5-DICHLORO-ISOTHIAZOLE-3-CARBOXYLIC-ACID
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4HCl2NO2S
InChI InChI=1S/C4HCl2NO2S/c5-1-2(4(8)9)7-10-3(1)6/h(H,8,9)
InChIKey ZFEHQZVNKOESSZ-UHFFFAOYSA-N
Literature Reference Author V.A.ZAPOLSKII,J.C.NAMYSLO,A.D.MEIJERE,D.E.KAUFMANN
Literature Reference Citation BEIL.J.ORG.CHEM.,8,621(2012)
Literature Reference DOI 10.3762/bjoc.8.69
Molecular Weight 198.023 g/mol
Solvent ACETONE-D6
Source File Reference UWIR10459