| SpectraBase Spectrum ID |
3ujUJcuZf57 |
| Name |
(S)-Dimethyl 2-((R,E)-hept-4-en-3-ylamino)glutarate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H25NO4 |
| InChI |
InChI=1S/C14H25NO4/c1-5-7-8-11(6-2)15-12(14(17)19-4)9-10-13(16)18-3/h7-8,11-12,15H,5-6,9-10H2,1-4H3/b8-7+/t11-,12+/m1/s1 |
| InChIKey |
KNWKWZVBCNIMJN-LASXONHFSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
271.357 g/mol |
| Optical Rotation |
[a]D20 = -163.4 (365 nm), -100.6 (436 nm), -57.7 (546 nm), -50.5 (579 nm), -48.6 (589 nm) (c = 0.510 g/100 ml, CHCl3) |
| SMILES |
N([C@@](\C=C\CC)(CC)[H])[C@@](CCC(=O)OC)(C(=O)OC)[H] |
| SPLASH |
splash10-052r-9600000000-9e8de8404ae5bf497aa5 |
| Sample Comments |
dr = 99:1 |
| Source of Spectrum |
QE-26-SM24-(R,S)-3j |
| Thin-Layer Chromatography |
Rf = 0.21 (Silica, cHex/EtOAc, 4:1) |
| Wiley ID |
1858583 |
