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N-Carboxymethyl-L-histidine cation

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N-Carboxymethyl-L-histidine cation
SpectraBase Compound ID 2APXBmSAipp
InChI InChI=1S/C8H11N3O4/c9-6(8(14)15)1-5-2-11(4-10-5)3-7(12)13/h2,4,6H,1,3,9H2,(H,12,13)(H,14,15)/p+1
InChIKey YGHNMJPZLRGDPH-UHFFFAOYSA-O
Mol Weight 214.2 g/mol
Molecular Formula C8H12N3O4
Exact Mass 214.082781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rrRKfqYeUy
Name N-Carboxymethyl-L-histidine cation
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 C8H12N3O4
InChI InChI=1S/C8H11N3O4/c9-6(8(14)15)1-5-2-11(4-10-5)3-7(12)13/h2,4,6H,1,3,9H2,(H,12,13)(H,14,15)/p+1
InChIKey YGHNMJPZLRGDPH-UHFFFAOYSA-O
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