| SpectraBase Spectrum ID |
BWLl18YLpZ4 |
| Name |
(S)-Methyl 2-((S,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-/m0/s1 |
| InChIKey |
CRSDBCPLNVQDIX-TYDXBBDOSA-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 = -154.8 (365 nm), -104.3 (436 nm), -63.9 (546 nm), -56.4 (579 nm), -54.5 (589 nm) (c = 0.515 g/100 ml, CHCl3) |
| SMILES |
N([C@](\C=C\CC)(CC)[H])[C@@](CC(C)C)(C(=O)OC)[H] |
| SPLASH |
splash10-08fr-9350000000-c064dc4fceb4ce5fd617 |
| Sample Comments |
dr > 98:2 |
| Source of Spectrum |
QE-26-SM19-(S,S)-3h |
| Thin-Layer Chromatography |
Rf = 0.25 (Silica, cHex/EtOAc, 15:1) |
| Wiley ID |
1858599 |
