| SpectraBase Spectrum ID |
5YQDwi99eVM |
| Name |
3-Methylxanthine 2TMS II |
| 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(14-12(15)17)18-20(5,6)7/h8H,1-7H3 |
| InChIKey |
XZMZRRNNYWDYAB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.504 g/mol |
| Nominal Mass |
310 u |
| Quality |
999 |
| Retention Index |
2441 |
| SMILES |
C1=2N([Si](C)(C)C)C=NC2N(C(N=C1O[Si](C)(C)C)=O)C |
| SPLASH |
splash10-0002-3493000000-5fbd281eafaddc1333e6 |
| Sample Comments |
TMS position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methyl-7-(trimethylsilyl)-6-((trimethylsilyl)oxy)-3,7-dihydro-2H-purin-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019045 |
