| SpectraBase Spectrum ID |
DYhpC8U2eZB |
| Name |
2-(methylthio)-1-(2-(5-(3-nitrophenyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N4O3S |
| InChI |
InChI=1S/C18H22N4O3S/c1-12(26-2)18(23)21-9-4-3-8-16(21)17-19-11-15(20-17)13-6-5-7-14(10-13)22(24)25/h5-7,10-12,16H,3-4,8-9H2,1-2H3,(H,19,20) |
| InChIKey |
NUTXXRJPUCIQOB-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
374.459 g/mol |
| SMILES |
[nH]1c(cnc1C1N(C(C(SC)C)=O)CCCC1)-c1cc(ccc1)[N+](=O)[O-] |
| SPLASH |
splash10-00di-1091000000-a1a6d30686dc469c99de |
| Source of Spectrum |
WO2021074281A1 |
| Wiley ID |
1880052 |
