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2,3-DIHYDRO-1-[4-(METHOXYCARBONYL)-PHENYL]-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_CHLORIDE
SpectraBase Compound ID JrTHgC9598H
InChI InChI=1S/C16H14NO3S.ClH/c1-17-15(18)13-5-3-4-6-14(13)21(17)12-9-7-11(8-10-12)16(19)20-2;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKey TVJDQZKEATWKPP-UHFFFAOYSA-M
Mol Weight 335.81 g/mol
Molecular Formula C16H14ClNO3S
Exact Mass 335.038292 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HD2ALfnuSNF
Name 2,3-DIHYDRO-1-[4-(METHOXYCARBONYL)-PHENYL]-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_CHLORIDE
Compound Number 3N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14ClNO3S
InChI InChI=1S/C16H14NO3S.ClH/c1-17-15(18)13-5-3-4-6-14(13)21(17)12-9-7-11(8-10-12)16(19)20-2;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKey TVJDQZKEATWKPP-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 UWMZ25209