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2,5-Diamino-4-cyano-imidazole-1-carboxylic acid, t-butyl ester
SpectraBase Compound ID FZrK0CTeXYD
InChI InChI=1S/C9H13N5O2/c1-9(2,3)16-8(15)14-6(11)5(4-10)13-7(14)12/h11H2,1-3H3,(H2,12,13)
InChIKey XYTBYHIEZZLUMF-UHFFFAOYSA-N
Mol Weight 223.24 g/mol
Molecular Formula C9H13N5O2
Exact Mass 223.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTXrmIV4wP3
Name 2,5-Diamino-4-cyano-imidazole-1-carboxylic acid, t-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N5O2
InChI InChI=1S/C9H13N5O2/c1-9(2,3)16-8(15)14-6(11)5(4-10)13-7(14)12/h11H2,1-3H3,(H2,12,13)
InChIKey XYTBYHIEZZLUMF-UHFFFAOYSA-N
Molecular Weight 223.236 g/mol
SMILES Nc1nc(c([n]1C(=O)OC(C)(C)C)N)C#N
SPLASH splash10-0abc-9400000000-b638c3d3416079b00f89
Synonyms 2,5-Diamino-4-cyano-1-imidazolecarboxylic acid tert-butyl ester 2,5-Diamino-4-cyano-imidazole-1-carboxylic acid tert-butyl ester tert-Butyl 2,5-bis(azanyl)-4-cyano-imidazole-1-carboxylate tert-Butyl 2,5-diamino-4-cyano-1H-imidazole-1-carboxylate tert-Butyl 2,5-diamino-4-cyano-imidazole-1-carboxylate
Wiley ID 1486034