| SpectraBase Spectrum ID |
BoZOVmZfy4X |
| Name |
(S)-Methyl 2-((R,E)-hept-4-en-3-ylamino)-3-methylbutanoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H25NO2 |
| InChI |
InChI=1S/C13H25NO2/c1-6-8-9-11(7-2)14-12(10(3)4)13(15)16-5/h8-12,14H,6-7H2,1-5H3/b9-8+/t11-,12+/m1/s1 |
| InChIKey |
JBKRVGWKGBURSJ-DGTDAXKGSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
227.348 g/mol |
| Optical Rotation |
[a]D20 = -54.9 (436 nm), -31.7 (546 nm), -27.9 (579 nm), -27.5 (589 nm) (c = 0.505 g/100 ml, CHCl3) |
| SMILES |
N([C@@](\C=C\CC)(CC)[H])[C@](C(=O)OC)(C(C)C)[H] |
| SPLASH |
splash10-052b-9800000000-18159bc3db038bc7d3f9 |
| Sample Comments |
dr > 98:2 |
| Source of Spectrum |
QE-26-SM13-(R,S)-3d |
| Thin-Layer Chromatography |
Rf = 0.25 (Silica, cHex/EtOAc, 20:1) |
| Wiley ID |
1858578 |
