| SpectraBase Spectrum ID |
QhTvPYjBLS |
| Name |
(S)-Methyl 2-((S,E)-hept-4-en-3-ylamino)propanoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H21NO2 |
| InChI |
InChI=1S/C11H21NO2/c1-5-7-8-10(6-2)12-9(3)11(13)14-4/h7-10,12H,5-6H2,1-4H3/b8-7+/t9-,10-/m0/s1 |
| InChIKey |
ZKVOPNCVYXUVNB-GOPXOUGQSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
199.294 g/mol |
| Optical Rotation |
[a]D20 = -164.0 (436 nm), -97.9 (546 nm), -87.1 (579 nm), -84.0 (589 nm) (c = 0.530 g/100 ml, CHCl3) |
| SMILES |
N([C@](\C=C\CC)(CC)[H])[C@](C(=O)OC)(C)[H] |
| SPLASH |
splash10-00di-4900000000-6c753f499745f22de861 |
| Sample Comments |
dr > 2:98 |
| Source of Spectrum |
QE-26-SM11-(S,S)-3c |
| Thin-Layer Chromatography |
Rf = 0.25 (Silica, cHex/EtOAc, 3:1) |
| Wiley ID |
1858594 |
