| SpectraBase Spectrum ID |
4liQycTeA6n |
| Name |
Theophylline TMS |
| CAS Registry Number |
62374-32-7 |
| Classification |
Pharmaceutical drug derivative |
| 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 |
252.104252304 u |
| Formula |
C10H16N4O2Si |
| InChI |
InChI=1S/C10H16N4O2Si/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)17(3,4)5/h6H,1-5H3 |
| InChIKey |
KPBTTYFAGBODJB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
252.349 g/mol |
| Nominal Mass |
252 u |
| Quality |
950 |
| Retention Index |
2069 |
| SMILES |
C1=2N([Si](C)(C)C)C=NC2N(C(N(C1=O)C)=O)C |
| SPLASH |
splash10-0fe0-5290000000-9422169227a48d1a2187 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Trimethylsilyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030011 |
