| SpectraBase Spectrum ID |
5V6XwjQ978y |
| Name |
Cafedrine CO2 2TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
545.248972441 u |
| Formula |
C25H39N5O5Si2 |
| InChI |
InChI=1S/C25H39N5O5Si2/c1-18(21(34-36(4,5)6)19-13-11-10-12-14-19)30(25(33)35-37(7,8)9)16-15-29-17-26-22-20(29)23(31)28(3)24(32)27(22)2/h10-14,17-18,21H,15-16H2,1-9H3 |
| InChIKey |
URKHUGJSRLHADK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
545.787 g/mol |
| Nominal Mass |
545 u |
| Quality |
1000 |
| Retention Index |
4229 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCN(C(C(C1=CC=CC=C1)O[Si](C)(C)C)C)C(O[Si](C)(C)C)=O |
| SPLASH |
splash10-00xr-2119000000-2fd8a8235e5320af381c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Trimethylsilyl (2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl)(1-phenyl-1-\r((trimethylsilyl)oxy)propan-2-yl)carbamate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024735 |
