| SpectraBase Spectrum ID |
B1yvZy4gnPh |
| Name |
(S)-Methyl 2-((S,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-/m0/s1 |
| InChIKey |
SURMLVDDMZOZPE-PZGQXFMXSA-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 = +31.1 (365 nm), +6.0 (436 nm), -2.6 (546 nm), -3.6 (579 nm) ,-3.8 (589 nm) (c = 0.535 g/100 ml, CHCl3) |
| SMILES |
N([C@](\C=C\CC)(CC)[H])[C@@](Cc1ccccc1)(C(=O)OC)[H] |
| SPLASH |
splash10-052g-9110000000-75418b475b3311154301 |
| Sample Comments |
dr = 97:3 |
| Source of Spectrum |
QE-26-SM14-(S,S)-3e |
| Thin-Layer Chromatography |
Rf = 0.26 (Silica, cHex/EtOAc, 10:1) |
| Wiley ID |
1858596 |
