| SpectraBase Spectrum ID |
FwMqBv9OvVM |
| Name |
8-(2-Oxotetrahydro-3-furyl)caffeine |
| Alternate Name(s) |
1,3,7-trimethyl-8-(2-oxotetrahydro-3-furanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14N4O4 |
| InChI |
InChI=1S/C12H14N4O4/c1-14-7-9(15(2)12(19)16(3)10(7)17)13-8(14)6-4-5-20-11(6)18/h6H,4-5H2,1-3H3 |
| InChIKey |
YDIDEJOJYORDIW-UHFFFAOYSA-N |
| Molecular Weight |
278.268 g/mol |
| SMILES |
c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C1C(OCC1)=O |
| SPLASH |
splash10-00kb-0890000000-a3ee7b4385320bb04d21 |
| Source of Spectrum |
AJ-66-2132-2 |
| Wiley ID |
772247 |
