| SpectraBase Spectrum ID |
GWiSwmVrfhg |
| Name |
1,3-Dimethyl-8-chloroxanthine ET |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
242.057053308 u |
| Formula |
C9H11ClN4O2 |
| InChI |
InChI=1S/C9H11ClN4O2/c1-4-14-5-6(11-8(14)10)12(2)9(16)13(3)7(5)15/h4H2,1-3H3 |
| InChIKey |
YNXZXEOEAYULHC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
242.666 g/mol |
| Nominal Mass |
242 u |
| Quality |
990 |
| Retention Index |
1857 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=C(N1CC)Cl |
| SPLASH |
splash10-00mo-6690000000-0da90d9ca5eab04447c5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011084 |
