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3-(N-Methyl-iminium)-4-thia-2-aza-octane cation
SpectraBase Compound ID Ag7GD1rNMDS
InChI InChI=1S/C7H16N2S/c1-4-5-6-10-7(8-2)9-3/h4-6H2,1-3H3,(H,8,9)/p+1
InChIKey IAYCSTUHGHXGCV-UHFFFAOYSA-O
Mol Weight 161.29 g/mol
Molecular Formula C7H17N2S
Exact Mass 161.111245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADOlW5wqo2m
Name 3-(N-Methyl-iminium)-4-thia-2-aza-octane cation
Comments HYDROBROMIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H17N2S
InChI InChI=1S/C7H16N2S/c1-4-5-6-10-7(8-2)9-3/h4-6H2,1-3H3,(H,8,9)/p+1
InChIKey IAYCSTUHGHXGCV-UHFFFAOYSA-O
Instrument Name Jeol FX-100
Literature Reference A.R. Katritzky, S. Sobiak, C.M. Marson, Magn. Res. Chem. 26, 665 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3