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(3-AMINO-3-CARBOXYPROPYL)(CARBOXYMETHYL)METHYLSULFONIUM HYDROXIDE,INNER SALT

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(3-AMINO-3-CARBOXYPROPYL)(CARBOXYMETHYL)METHYLSULFONIUM HYDROXIDE,INNER SALT
SpectraBase Compound ID L6Y5KWVScCy
InChI InChI=1S/C7H13NO4S/c1-13(4-6(9)10)3-2-5(8)7(11)12/h5H,2-4,8H2,1H3,(H-,9,10,11,12)
InChIKey LZDJMTKYAMVEHN-UHFFFAOYSA-N
Mol Weight 207.24 g/mol
Molecular Formula C7H13NO4S
Exact Mass 207.056529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAGAmq6wOX1
Name S-Carboxymethyl-L-methionine sulphonium salt
Comments HFX-90E OR XL-100-12, D2O/HCL, PH = 1.0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H13NO4S
InChI InChI=1S/C7H13NO4S/c1-13(4-6(9)10)3-2-5(8)7(11)12/h5H,2-4,8H2,1H3,(H-,9,10,11,12)
InChIKey LZDJMTKYAMVEHN-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference I.J. Climie, D.A. Evans, Tetrahedron 38, 697 (1982).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O