| SpectraBase Spectrum ID |
ArMoTPNiWk5 |
| Name |
tert-Butyl 2-(3-((2R*,3S*)-3-acetyloxiran-2-yl)propyl)-1H-pyrrole-1-carboxylate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.162708221 u |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-11(18)14-13(20-14)9-5-7-12-8-6-10-17(12)15(19)21-16(2,3)4/h6,8,10,13-14H,5,7,9H2,1-4H3/t13-,14-/m1/s1 |
| InChIKey |
GDBQVLNXPMXXLD-ZIAGYGMSSA-N |
| Instrument Name |
Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711439 |
| Optical Rotation |
[a]D21.5 = -17.5 (c = 0.16, DCM) |
| Quality |
132 |
| Reported Formula |
C16H23NO4 |
| SMILES |
C([C@@]1([C@](O1)(CCCC1=CC=CN1C(OC(C)(C)C)=O)[H])[H])(=O)C |
| SPLASH |
splash10-0089-5900000000-d70a17449ab99eac0000 |
| Sample Comments |
94% ee |
| Source of Spectrum |
ACI-57-SM18-2a.3 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.39 (EtOAc/hexane, 10%) |
| Wiley ID |
1890660 |
