Caffeine

  • Formula: C8H10N4O2
  • Molecular Weight: 194.191 g/mol
  • PubChem CID: 2519
  • SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
  • InChI String: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
  • InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
  • Wikidata: Q60235

Systems and Spectra

Caffeine

Caffeine (MS)Caffeine (IR)Caffeine (UV/Vis)

Caffeine in Chloroform-d

Caffeine (1H NMR)Caffeine (13C NMR)
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