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5-AMINO-1-[N-(2-CHLOROETHYL)-CARBAMOYL]-IMIDAZOLE-4-CARBOX-AMIDE
SpectraBase Compound ID FSZRJdXNngV
InChI InChI=1S/C7H10ClN5O2/c8-1-2-11-7(15)13-3-12-4(5(13)9)6(10)14/h3H,1-2,9H2,(H2,10,14)(H,11,15)
InChIKey SJJBKCRZJLNQMH-UHFFFAOYSA-N
Mol Weight 231.64 g/mol
Molecular Formula C7H10ClN5O2
Exact Mass 231.052302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gxJWvfz6tC
Name 5-AMINO-1-[N-(2-CHLOROETHYL)-CARBAMOYL]-IMIDAZOLE-4-CARBOX-AMIDE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10ClN5O2
InChI InChI=1S/C7H10ClN5O2/c8-1-2-11-7(15)13-3-12-4(5(13)9)6(10)14/h3H,1-2,9H2,(H2,10,14)(H,11,15)
InChIKey SJJBKCRZJLNQMH-UHFFFAOYSA-N
Literature Reference Author Y.WANG,R.T.WHEELHOUSE,L.ZHAO,D.A.F.LANGNEL,M.F.G.STEVENS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1669(1998)
Literature Reference DOI 10.1039/a800572i
Molecular Weight 231.642 g/mol
Solvent DMSO-D6
Source File Reference UWBS662