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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UMqDnHj4ek
Name 8-METHOXYCAFFEINE
Source of Sample Eastman Organic Chemicals, Rochester, New York
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 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
Melting Point 178-180C
Molecular Weight 224.22
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CAFFEINE, 8-METHOXY-,