| SpectraBase Spectrum ID |
DlbSlHqNxWi |
| Name |
Allopurinol 2TMS |
| CAS Registry Number |
51642-61-6 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
280.117564349 u |
| Formula |
C11H20N4OSi2 |
| InChI |
InChI=1S/C11H20N4OSi2/c1-17(2,3)15-10-9(7-14-15)11(13-8-12-10)16-18(4,5)6/h7-8H,1-6H3 |
| InChIKey |
ISWPSCOFEHTTCP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
280.478 g/mol |
| Nominal Mass |
280 u |
| Quality |
997 |
| Retention Index |
1619 |
| SMILES |
C=12N(N=CC2=C(O[Si](C)(C)C)N=CN1)[Si](C)(C)C |
| SPLASH |
splash10-014i-2290000000-7774c606ca953768e50e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(trimethylsilyl)-4-((trimethylsilyl)oxy)-1H-pyrazolo[4,3-e]pyrimidine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032610 |
