| SpectraBase Spectrum ID |
JJAB9v3ATrs |
| Name |
Etofylline AC |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
266.101504943 u |
| Formula |
C11H14N4O4 |
| InChI |
InChI=1S/C11H14N4O4/c1-7(16)19-5-4-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3 |
| InChIKey |
CQKZJBMFMGGBHJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
266.257 g/mol |
| Nominal Mass |
266 u |
| Quality |
906 |
| Retention Index |
2204 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCOC(=O)C |
| SPLASH |
splash10-0apr-6960000000-06495c642a82f0086fea |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007811 |
