| SpectraBase Spectrum ID |
JHx2dDk0K2q |
| Name |
3-Methylxanthin 2TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
310.128129032 u |
| Formula |
C12H22N4O2Si2 |
| InChI |
InChI=1S/C12H22N4O2Si2/c1-15-10-9(16(8-13-10)19(2,3)4)11(17)14-12(15)18-20(5,6)7/h8H,1-7H3 |
| InChIKey |
VEGUYVVWLRJFJY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.504 g/mol |
| Nominal Mass |
310 u |
| Quality |
998 |
| Retention Index |
2441 |
| SMILES |
C12=C(N(C(=NC2=O)O[Si](C)(C)C)C)N=CN1[Si](C)(C)C |
| SPLASH |
splash10-00di-5390000000-0878925c5b1f5f42a09f |
| Sample Comments |
TMS position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methyl-7-(trimethylsilyl)-2-((trimethylsilyl)oxy)-3,7-dihydro-6H-purin-6-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019046 |
