| SpectraBase Spectrum ID |
2xJEWk2xlJu |
| Name |
2-(methylthio)-1-((R)-2-(5-phenylimidazol-2-yl)pyrrolidin-1-yl)propan-1-one |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21N3OS |
| InChI |
InChI=1S/C17H21N3OS/c1-12(22-2)17(21)20-10-6-9-15(20)16-18-11-14(19-16)13-7-4-3-5-8-13/h3-5,7-8,11-12,15H,6,9-10H2,1-2H3,(H,18,19)/t12?,15-/m1/s1 |
| InChIKey |
XQLSWVMXXKGEHY-WPZCJLIBSA-N |
| Ionization Type |
EI |
| Molecular Weight |
315.435 g/mol |
| SMILES |
[nH]1c(ncc1-c1ccccc1)[C@@]1(N(C(C(C)SC)=O)CCC1)[H] |
| SPLASH |
splash10-004i-9120000000-d1a0959f7103f5c64325 |
| Source of Spectrum |
WO2021074281A1 |
| Wiley ID |
1880107 |
