| SpectraBase Spectrum ID |
5t7sYRvJ6f4 |
| Name |
(S)-Dimethyl 2-((S,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-/m0/s1 |
| InChIKey |
KNWKWZVBCNIMJN-BRQSLIGTSA-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 = -120.5 (365 nm), -83.6 (436 nm), -51.4 (546 nm), -44.4 (579 nm), -41.9 (589 nm) (c = 0.505 g/100 ml, CHCl3) |
| SMILES |
N([C@](\C=C\CC)(CC)[H])[C@@](CCC(=O)OC)(C(=O)OC)[H] |
| SPLASH |
splash10-0006-7490000000-09360ed093f3bca71b32 |
| Sample Comments |
dr = 98:2 |
| Source of Spectrum |
QE-26-SM23-(S,S)-3j |
| Thin-Layer Chromatography |
Rf = 0.21 (Silica, cHex/EtOAc, 4:1) |
| Wiley ID |
1858601 |
