Compound Name: Caffeine NP-MRD ID: NP0000009 Literature Reference: PMID: 19212411 Genus: Species: Physical State of Compound: Solid Melting Point: 238 Boiling Point: 178 Solvent: CDCl3 Spectrum Type: 1D-1H Spectrometer Frequency: 500 MHz Temperature: 20 Chemical Shift Reference: CHCl3 (Residual-Peak) Atom Type,Atom No,Predicted Shift(ppm),Actual Shift(ppm),Predicted Multiplet Type,Actual Multiplet Type,Predicted J coupling(Hz),Actual J coupling(Hz) H,15,3.41,3.41,s,s,NA,NA H,16,3.41,3.41,s,s,NA,NA H,17,3.41,3.41,s,s,NA,NA H,18,8.58,7.505,s,s,NA,NA H,19,3.01,3.994,s,s,NA,NA H,20,3.01,3.994,s,s,NA,NA H,21,3.01,3.994,s,s,NA,NA H,22,3.01,3.587,s,s,NA,NA H,23,3.01,3.587,s,s,NA,NA H,24,3.01,3.587,s,s,NA,NA Spectral File/s: N/A