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3-Isobutyl-1-methylxanthine

View entire compound with spectra: 3 NMR, 5 FTIR, 1 Raman, 1 UV-Vis, and 2 MS (GC)

3-Isobutyl-1-methylxanthine
SpectraBase Compound ID 6Z3taMePoDU
InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N
Mol Weight 222.25 g/mol
Molecular Formula C10H14N4O2
Exact Mass 222.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DM04GR0OasJ
Name 3-ISOBUTYL-1-METHYLXANTHINE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O2
InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N
Melting Point 200-201C
Molecular Weight 222.25
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20