| SpectraBase Spectrum ID |
9xLYRm9xlK3 |
| Name |
(3R,4R,5S)-3-butyl-5-phenyl-4-formyl-pyrrolidine-2,2-diethyl dicarboxylate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29NO5 |
| InChI |
InChI=1S/C21H29NO5/c1-4-7-13-17-16(14-23)18(15-11-9-8-10-12-15)22-21(17,19(24)26-5-2)20(25)27-6-3/h8-12,14,16-18,22H,4-7,13H2,1-3H3/t16-,17-,18-/m1/s1 |
| InChIKey |
AEOJRUWBEYOMFS-KZNAEPCWSA-N |
| Instrument Name |
Hewlett Packard 5989B?? |
| Ionization Type |
EI |
| Molecular Weight |
375.465 g/mol |
| Reported Formula |
C21H29NO5 |
| SMILES |
N1C([C@@]([C@]([C@]1(c1ccccc1)[H])(C=O)[H])(CCCC)[H])(C(OCC)=O)C(=O)OCC |
| SPLASH |
splash10-014i-0290000000-e31e3cd522cc58729bfd |
| Sample Comments |
mixture of endo/exo isomers (>95:<5), 99% ee, 99% ee |
| Source of Spectrum |
ES2322739B1 |
| Wiley ID |
1841902 |
