Compound Name: Trigonelline NP-MRD ID: NP0000018 Literature Reference: PMID: 32661875 Genus: Species: Physical State of Compound: NA Melting Point: Boiling Point: Solvent: H2O Spectrum Type: 1D-1H Spectrometer Frequency: 700 MHz Temperature: 20 Chemical Shift Reference: DSS 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,11,3.1,4.43,s,s,NA,NA H,12,3.1,4.43,s,s,NA,NA H,13,3.1,4.43,s,s,NA,NA H,14,7.72,8.83,dd,m,"4.9,1.4",NA H,15,6.63,8.08,dd,m,"7.2,4.9",NA H,16,6.9,8.83,ddd,m,"7.2,1.9,1.4",NA H,17,7.47,9.12,d,s,1.9,NA Spectral File/s: "HMDB0000875_WB2_Trigonelline_1Hz.zip (1D-1H, H2O, DSS)"