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2,3-DIHYDRO-1-[4-(N-METHYLCARBAMOYL)-PHENYL]-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_CHLORIDE
SpectraBase Compound ID DpqNtgSV63r
InChI InChI=1S/C16H14N2O2S.ClH/c1-17-15(19)11-7-9-12(10-8-11)21-14-6-4-3-5-13(14)16(20)18(21)2;/h3-10H,1-2H3;1H
InChIKey USFFILMSHHRURX-UHFFFAOYSA-N
Mol Weight 334.82 g/mol
Molecular Formula C16H15ClN2O2S
Exact Mass 334.054277 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQsxAlADVfI
Name 2,3-DIHYDRO-1-[4-(N-METHYLCARBAMOYL)-PHENYL]-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_CHLORIDE
Compound Number 3O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15ClN2O2S
InChI InChI=1S/C16H14N2O2S.ClH/c1-17-15(19)11-7-9-12(10-8-11)21-14-6-4-3-5-13(14)16(20)18(21)2;/h3-10H,1-2H3;1H
InChIKey USFFILMSHHRURX-UHFFFAOYSA-N
Literature Reference Author P.NAGY,A.CSAMPAI,D.SZABO,J.VARGA,V.HARMAT,F.RUFF,A.KUCSMAN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,339(2001)
Solvent CD3OD
Source File Reference UWMZ25210