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Pyridoxylidene G-amino-butyrate

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Pyridoxylidene G-amino-butyrate
SpectraBase Compound ID CydrZGlRDws
InChI InChI=1S/C12H16N2O4/c1-8-12(18)10(9(7-15)5-14-8)6-13-4-2-3-11(16)17/h5-6,15,18H,2-4,7H2,1H3,(H,16,17)/b13-6+
InChIKey ZRYGPWKUTLZNGE-AWNIVKPZSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4K0yWX25vlV
Name Pyridoxylidene G-amino-butyrate
CAS Registry Number 57211-80-0
Comments PH = 8.6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-8-12(18)10(9(7-15)5-14-8)6-13-4-2-3-11(16)17/h5-6,15,18H,2-4,7H2,1H3,(H,16,17)/b13-6+
InChIKey ZRYGPWKUTLZNGE-AWNIVKPZSA-N
Instrument Name Varian XL-100
Literature Reference R.C. Harruff, W.T. Jenkins, Org. Magn. Resonance 8, 548 (1976).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O