| SpectraBase Spectrum ID |
8rKkpkxHkGK |
| Name |
8-Propionyl-8,9-dihydrocaffeine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H16N4O3 |
| InChI |
InChI=1S/C11H16N4O3/c1-5-6(16)8-12-9-7(13(8)2)10(17)15(4)11(18)14(9)3/h8,12H,5H2,1-4H3 |
| InChIKey |
NNJSIAPYYMSPEA-UHFFFAOYSA-N |
| Molecular Weight |
252.274 g/mol |
| SMILES |
N1C(N(C2=C1N(C(N(C2=O)C)=O)C)C)C(=O)CC |
| SPLASH |
splash10-0udi-0090000000-a3ca1e7edfa751c26d7c |
| Source of Spectrum |
U-1993-1045-2 |
| Synonyms |
1,3,7-trimethyl-8-propionyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione |
| Wiley ID |
765411 |
