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8-methoxycaffeine
SpectraBase Compound ID 1TJfgHCJljW
InChI InChI=1S/C9H12N4O3/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3
InChIKey ATPSJRIIRXKPER-UHFFFAOYSA-N
Mol Weight 224.22 g/mol
Molecular Formula C9H12N4O3
Exact Mass 224.09094 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RZ296eV5Wz
Name 8-methoxycaffeine
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O3
InChI InChI=1S/C9H12N4O3/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3
InChIKey ATPSJRIIRXKPER-UHFFFAOYSA-N
Instrument Name Varian A-60D
Sadtler NMR Number 19158M
Solvent Trifluoroacetic acid