| SpectraBase Spectrum ID |
GxNTtGFAyT2 |
| Name |
(3R,4R,5S)-5-Phenyl-4-formyl-3-methylpyrrolidine-2,2-diethyl-dicarboxylate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23NO5 |
| InChI |
InChI=1S/C18H23NO5/c1-4-23-16(21)18(17(22)24-5-2)12(3)14(11-20)15(19-18)13-9-7-6-8-10-13/h6-12,14-15,19H,4-5H2,1-3H3/t12-,14-,15-/m1/s1 |
| InChIKey |
UKWTVPHXWCPFKW-BPLDGKMQSA-N |
| Instrument Name |
Hewlett Packard 5989B?? |
| Ionization Type |
EI |
| Molecular Weight |
333.384 g/mol |
| Reported Formula |
C18H23NO5 |
| SMILES |
N1C([C@@]([C@]([C@]1(c1ccccc1)[H])(C=O)[H])(C)[H])(C(OCC)=O)C(=O)OCC |
| SPLASH |
splash10-03di-0290000000-eebeb7a3d3b752f7f033 |
| Sample Comments |
mixture of endo/exo isomers (>95:<5), >99% ee, >99% ee |
| Source of Spectrum |
ES2322739B1 |
| Wiley ID |
1841913 |
