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2,3-DIHYDRO-1-PHENYL-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_PERCHLORATE

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2,3-DIHYDRO-1-PHENYL-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_PERCHLORATE
SpectraBase Compound ID 2YUaHAH1fIW
InChI InChI=1S/C14H12NOS.ClHO4/c1-15-14(16)12-9-5-6-10-13(12)17(15)11-7-3-2-4-8-11;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey WDSDOAWZAFTIQT-UHFFFAOYSA-M
Mol Weight 341.76 g/mol
Molecular Formula C14H12ClNO5S
Exact Mass 341.012471 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dbnH6RDflm
Name 2,3-DIHYDRO-1-PHENYL-2-METHYL-3-OXO-1,2-BENZISOTHIAZOL_1-IUM_PERCHLORATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12ClNO5S
InChI InChI=1S/C14H12NOS.ClHO4/c1-15-14(16)12-9-5-6-10-13(12)17(15)11-7-3-2-4-8-11;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey WDSDOAWZAFTIQT-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 UWMZ25190