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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 FMia9dRiMaO
Name 1-(2-CYANOETHYL)-L-HISTIDINE
Source of Sample I. J. Climie, D. A. Evans Tetrahedron 38, 697(1982)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 208.22
Solvent Deuterium oxide; Reference=Dioxane; Temperature=Ambient Spectrometer= Bruker HX-90
Synonyms HISTIDINE, 1-/2-CYANOETHYL/-, L-,