| SpectraBase Spectrum ID |
2lq1PiBVuHA |
| Name |
3-Methyl-1,7-bis(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
362.195405329 u |
| Formula |
C18H26N4O4 |
| InChI |
InChI=1S/C18H26N4O4/c1-13(23)8-4-6-10-21-12-19-16-15(21)17(25)22(18(26)20(16)3)11-7-5-9-14(2)24/h12H,4-11H2,1-3H3 |
| InChIKey |
QANXTEAQVXUYGN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
362.430 g/mol |
| Nominal Mass |
362 u |
| Quality |
946 |
| Retention Index |
2893 |
| SMILES |
C12=C(N(C(N(C2=O)CCCCC(=O)C)=O)C)N=CN1CCCCC(=O)C |
| SPLASH |
splash10-052f-9632000000-58f3c5753cb5c1082e8a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methyl-1,7-bis(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034450 |
