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6-Methoxy-isomazolium cation

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6-Methoxy-isomazolium cation
SpectraBase Compound ID 2V0zjfkgwJW
InChI InChI=1S/C15H15N3O3S/c1-20-13-6-9(22(3)19)4-5-10(13)15-17-11-7-14(21-2)16-8-12(11)18-15/h4-8H,1-3H3,(H,17,18)/p+1
InChIKey HKCJXIXIEDUFKZ-UHFFFAOYSA-O
Mol Weight 318.37 g/mol
Molecular Formula C15H16N3O3S
Exact Mass 318.091238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnwyitnRan6
Name 6-Methoxy-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 C15H16N3O3S
InChI InChI=1S/C15H15N3O3S/c1-20-13-6-9(22(3)19)4-5-10(13)15-17-11-7-14(21-2)16-8-12(11)18-15/h4-8H,1-3H3,(H,17,18)/p+1
InChIKey HKCJXIXIEDUFKZ-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