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Isomazolium cation

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Isomazolium cation
SpectraBase Compound ID EskjYOa4VdF
InChI InChI=1S/C14H13N3O2S/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)/p+1
InChIKey JQUKCPUPFALELS-UHFFFAOYSA-O
Mol Weight 288.34 g/mol
Molecular Formula C14H14N3O2S
Exact Mass 288.080673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vaaS8umKTu
Name Isomazolium cation
Comments BRUKER AM-200 OR WM-360 SPECTROMETER, NA SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H14N3O2S
InChI InChI=1S/C14H13N3O2S/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)/p+1
InChIKey JQUKCPUPFALELS-UHFFFAOYSA-O
Instrument Name see comment
Literature Reference J.C. Lindon, J.M. Williams, P. Barraclough, Magn. Res. Chem. 28, 573 (1990).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O