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5-AMINO-4-METHYL-4H-IMIDAZOLE-4-CARBONITRILE
SpectraBase Compound ID C9OmTlDG5mV
InChI InChI=1S/C5H6N4/c1-5(2-6)4(7)8-3-9-5/h3H,1H3,(H2,7,8,9)
InChIKey PEWILLKDTXVTIK-UHFFFAOYSA-N
Mol Weight 122.13 g/mol
Molecular Formula C5H6N4
Exact Mass 122.059246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41f1cqzr4vm
Name 5-Amino-4-cyano-4-methyl-4H-imidazole
CAS Registry Number 79680-96-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H6N4
InChI InChI=1S/C5H6N4/c1-5(2-6)4(7)8-3-9-5/h3H,1H3,(H2,7,8,9)
InChIKey PEWILLKDTXVTIK-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference R. Hosmane, V. Bakthavachalam, N. Leonard, J. Am. Chem. Soc. 104, 235 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6