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Taurine-betaine cation

View entire compound with spectra: 1 NMR

Taurine-betaine cation
SpectraBase Compound ID KicYN7tjm25
InChI InChI=1S/C5H13NO3S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3/p+1
InChIKey BXYUEGANNHFECO-UHFFFAOYSA-O
Mol Weight 168.23 g/mol
Molecular Formula C5H14NO3S
Exact Mass 168.069439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfXBDANMfoJ
Name Taurine-betaine cation
Comments chloride
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Formula C5H14NO3S
InChI InChI=1S/C5H13NO3S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3/p+1
InChIKey BXYUEGANNHFECO-UHFFFAOYSA-O
Instrument Name Jeol FX-90
Literature Reference G. Blunden, S.M. Gordon, T.A. Crabb, O.G.Roch, Magn. Res. Chem. 24, 965 (1986).
NMR Standard CH3OH
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O