| SpectraBase Spectrum ID |
FJMIJiYfu5k |
| Name |
(S)-Methyl 1-((R,E)-hept-4-en-3-yl)pyrrolidin-2-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H23NO2 |
| InChI |
InChI=1S/C13H23NO2/c1-4-6-8-11(5-2)14-10-7-9-12(14)13(15)16-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3/b8-6+/t11-,12+/m1/s1 |
| InChIKey |
QAZKHASPRPQGDW-OWVOXGNYSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
225.332 g/mol |
| Optical Rotation |
[a]D20 = -159.3 (436 nm), -92.5 (546 nm), -80.8 (579 nm), -78.4 (589 nm) (c = 0.505 g/100 ml, CHCl3) |
| SMILES |
CC\C=C\[C@@](CC)(N1[C@@](CCC1)(C(=O)OC)[H])[H] |
| SPLASH |
splash10-0002-6900000000-389e6abe29194fe5931d |
| Sample Comments |
dr = 98:2 |
| Source of Spectrum |
QE-26-SM25-(R,S)-3k |
| Thin-Layer Chromatography |
Rf = 0.18 (Silica, cHex/EtOAc, 3:1) |
| Wiley ID |
1858584 |
