| SpectraBase Spectrum ID |
DmkL4lDwWn2 |
| Name |
Etofylline-A (-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.080375576 u |
| Formula |
C9H10N4O2 |
| InChI |
InChI=1S/C9H10N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h4-5H,1H2,2-3H3 |
| InChIKey |
LDIHAIDKESSPJD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.205 g/mol |
| Nominal Mass |
206 u |
| Quality |
846 |
| Retention Index |
1786 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1C=C |
| SPLASH |
splash10-0a4i-5590000000-be87da7a5debdf354584 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-ethenyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007810 |
