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5-(1,3-Dimethyl-ureido)-3-methyl-3H-imidazole-4-carboxylic acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-(1,3-Dimethyl-ureido)-3-methyl-3H-imidazole-4-carboxylic acid
SpectraBase Compound ID HU2YGypckIL
InChI InChI=1S/C8H12N4O3/c1-9-8(15)12(3)6-5(7(13)14)11(2)4-10-6/h4H,1-3H3,(H,9,15)(H,13,14)
InChIKey KCDXKHFRZVPYRR-UHFFFAOYSA-N
Mol Weight 212.21 g/mol
Molecular Formula C8H12N4O3
Exact Mass 212.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tDDo4LrVGo
Name 1-Methyl-4-(N,N'-dimethylurea)imidazole-5-carboxylic Acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N4O3
InChI InChI=1S/C8H12N4O3/c1-9-8(15)12(3)6-5(7(13)14)11(2)4-10-6/h4H,1-3H3,(H,9,15)(H,13,14)
InChIKey KCDXKHFRZVPYRR-UHFFFAOYSA-N
Molecular Weight 212.209 g/mol
SMILES OC(c1c(N(C(=O)NC)C)nc[n]1C)=O
SPLASH splash10-08fr-0900000000-631940b51568b27b2644
Source of Spectrum CRT-6-52-2
Synonyms Caffeidine-acid 3-Methyl-5-[methyl(methylcarbamoyl)amino]-4-imidazolecarboxylic acid
Wiley ID 1709372