| SpectraBase Spectrum ID |
8H7YcYB9PGK |
| Name |
1,3,7,9-Tetramethyluric acid |
| CAS Registry Number |
2309-49-1 |
| Classification |
Chemical |
| 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 |
224.090940259 u |
| Formula |
C9H12N4O3 |
| InChI |
InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3 |
| InChIKey |
QGDOQULISIQFHQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
224.220 g/mol |
| Nominal Mass |
224 u |
| Quality |
875 |
| Retention Index |
1907 |
| SMILES |
C12=C(N(C(N2C)=O)C)N(C(N(C1=O)C)=O)C |
| SPLASH |
splash10-00yi-9760000000-c51cb801a8b1277ef88c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3,7,9-Tetramethyl-7,9-dihydro-3H-purine-2,6,8-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005294 |
