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1-(2-CYANOETHYL)-L-HISTIDINE

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1-(2-CYANOETHYL)-L-HISTIDINE
SpectraBase Compound ID DR5L0RxaAPz
InChI InChI=1S/C9H12N4O2/c10-2-1-3-13-5-7(12-6-13)4-8(11)9(14)15/h5-6,8H,1,3-4,11H2,(H,14,15)
InChIKey FMVLQDUXPAJLCV-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C9H12N4O2
Exact Mass 208.096026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Py6aKSUrYu
Name N(Im)-(2-cyano-ethyl)-L-histidine
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 C9H12N4O2
InChI InChI=1S/C9H12N4O2/c10-2-1-3-13-5-7(12-6-13)4-8(11)9(14)15/h5-6,8H,1,3-4,11H2,(H,14,15)
InChIKey FMVLQDUXPAJLCV-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