| SpectraBase Spectrum ID |
LHRBSUvVXxR |
| Name |
(S)-Methyl 2-((R,E)-hept-4-en-3-ylamino)-4-methylpentanoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H27NO2 |
| InChI |
InChI=1S/C14H27NO2/c1-6-8-9-12(7-2)15-13(10-11(3)4)14(16)17-5/h8-9,11-13,15H,6-7,10H2,1-5H3/b9-8+/t12-,13+/m1/s1 |
| InChIKey |
CRSDBCPLNVQDIX-VSONXHSHSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
241.375 g/mol |
| Optical Rotation |
[a]D20 = -43.2 (365 nm), -27.0 (436 nm), -15.3 (546 nm), -13.5 (579 nm), -13.0 (589 nm) (c = 0.520 g/100 ml, CHCl3) |
| SMILES |
N([C@@](\C=C\CC)(CC)[H])[C@@](CC(C)C)(C(=O)OC)[H] |
| SPLASH |
splash10-03di-9350000000-4216e926b069172b495a |
| Sample Comments |
dr > 98:2 |
| Source of Spectrum |
QE-26-SM20-(R,S)-3h |
| Thin-Layer Chromatography |
Rf = 0.21 (Silica, cHex/EtOAc 15:1) |
| Wiley ID |
1858581 |
