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2,3-DIHYDRO-1-(2-METHOXYPHENYL)-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_PERCHLORATE
SpectraBase Compound ID DzKGL8LKIME
InChI InChI=1S/C15H14NO2S.ClHO4/c1-16-15(17)11-7-3-5-9-13(11)19(16)14-10-6-4-8-12(14)18-2;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey QDBWRLIRWLVUSL-UHFFFAOYSA-M
Mol Weight 371.79 g/mol
Molecular Formula C15H14ClNO6S
Exact Mass 371.023036 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pxtKbkQppL
Name 2,3-DIHYDRO-1-(2-METHOXYPHENYL)-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_PERCHLORATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14ClNO6S
InChI InChI=1S/C15H14NO2S.ClHO4/c1-16-15(17)11-7-3-5-9-13(11)19(16)14-10-6-4-8-12(14)18-2;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey QDBWRLIRWLVUSL-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 UWMZ25193