| SpectraBase Spectrum ID |
BXW3KSZHwho |
| Name |
(S)-Methyl 2-((R,E)-hept-4-en-3-ylamino)-3-phenylpropanoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25NO2 |
| InChI |
InChI=1S/C17H25NO2/c1-4-6-12-15(5-2)18-16(17(19)20-3)13-14-10-8-7-9-11-14/h6-12,15-16,18H,4-5,13H2,1-3H3/b12-6+/t15-,16+/m1/s1 |
| InChIKey |
SURMLVDDMZOZPE-PBTCMXSMSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
275.392 g/mol |
| Optical Rotation |
[a]D20 = +88.7 (436 nm), +48.6 (546 nm), +42.0 (579 nm), +39.4 (589 nm) (c = 0.530 g/100 ml, CHCl3) |
| SMILES |
N([C@@](\C=C\CC)(CC)[H])[C@@](Cc1ccccc1)(C(=O)OC)[H] |
| SPLASH |
splash10-052e-9210000000-e80a7acb332c57f15fe6 |
| Sample Comments |
dr > 99:1 |
| Source of Spectrum |
QE-26-SM15-(R,S)-3e |
| Thin-Layer Chromatography |
Rf = 0.22 (Silica, cHex/EtOAc, 10:1) |
| Wiley ID |
1858579 |
