SpectraBase Compound ID | 1TJfgHCJljW |
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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 |
SpectraBase Spectrum ID | 2RZ296eV5Wz |
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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 |