| SpectraBase Spectrum ID |
2WBgTkHFzTP |
| Name |
1-(5-ketohexyl)-3,7-dimethyl-9H-purine-2,6,8-trione |
| Alternate Name(s) |
3,7-Dimethyl-1-(5-oxidanylidenehexyl)-9H-purine-2,6,8-trione
3,7-Dimethyl-1-(5-oxohexyl)-9H-purine-2,6,8-trione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18N4O4 |
| InChI |
InChI=1S/C13H18N4O4/c1-8(18)6-4-5-7-17-11(19)9-10(16(3)13(17)21)14-12(20)15(9)2/h4-7H2,1-3H3,(H,14,20) |
| InChIKey |
KJKRWZRXCSTYHA-UHFFFAOYSA-N |
| Molecular Weight |
294.311 g/mol |
| SMILES |
N1C(N(C2=C1N(C(N(C2=O)CCCCC(=O)C)=O)C)C)=O |
| SPLASH |
splash10-0f6w-2960000000-d87871618d84310033f0 |
| Source of Spectrum |
KC-0-679-31 |
| Wiley ID |
827719 |
