| SpectraBase Spectrum ID |
DJlUscaChNo |
| Name |
methyl 4-(2-(1-(2-(methylthio)propanoyl)piperidin-2-yl)-1H-imidazol-5-yl)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25N3O3S |
| InChI |
InChI=1S/C20H25N3O3S/c1-13(27-3)19(24)23-11-5-4-6-17(23)18-21-12-16(22-18)14-7-9-15(10-8-14)20(25)26-2/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,21,22) |
| InChIKey |
HLYGLVCAYMBMMD-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
387.498 g/mol |
| SMILES |
[nH]1c(cnc1C1N(CCCC1)C(C(C)SC)=O)-c1ccc(C(OC)=O)cc1 |
| SPLASH |
splash10-001i-0091000000-3086a446ab31090910cd |
| Source of Spectrum |
WO2021074281A1 |
| Wiley ID |
1880056 |
