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2,3-DIHYDRO-1-(4-NITROPHENYL)-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_CHLORIDE
SpectraBase Compound ID HUvwDTDdKo1
InChI InChI=1S/C14H11N2O3S.ClH/c1-15-14(17)12-4-2-3-5-13(12)20(15)11-8-6-10(7-9-11)16(18)19;/h2-9H,1H3;1H/q+1;/p-1
InChIKey NASAGQLRUGLTFQ-UHFFFAOYSA-M
Mol Weight 322.77 g/mol
Molecular Formula C14H11ClN2O3S
Exact Mass 322.017891 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZehxF9UXsy
Name 2,3-DIHYDRO-1-(4-NITROPHENYL)-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_CHLORIDE
Compound Number 3M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11ClN2O3S
InChI InChI=1S/C14H11N2O3S.ClH/c1-15-14(17)12-4-2-3-5-13(12)20(15)11-8-6-10(7-9-11)16(18)19;/h2-9H,1H3;1H/q+1;/p-1
InChIKey NASAGQLRUGLTFQ-UHFFFAOYSA-M
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 UWMZ25208