| SpectraBase Spectrum ID |
CRpBPZzlXEZ |
| Name |
(S)-Methyl 2-((S,E)-hept-4-en-3-ylamino)-3-hydroxypropanoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H21NO3 |
| InChI |
InChI=1S/C11H21NO3/c1-4-6-7-9(5-2)12-10(8-13)11(14)15-3/h6-7,9-10,12-13H,4-5,8H2,1-3H3/b7-6+/t9-,10-/m0/s1 |
| InChIKey |
NTJJDHKNTJJBCW-CAFLDADYSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
215.293 g/mol |
| Optical Rotation |
[a]D20 = -243.7 (365 nm), -160.0 (436 nm), -96.0 (546 nm), -84.8 (579 nm), -81.8 (589 nm) (c = 0.510 g/100 ml, CHCl3) |
| SMILES |
N([C@](\C=C\CC)(CC)[H])[C@@](CO)(C(=O)OC)[H] |
| SPLASH |
splash10-052r-9700000000-8f9800ee8f79add1b9e4 |
| Sample Comments |
dr = 97:3 |
| Source of Spectrum |
QE-26-SM16-(S,S)-3f |
| Thin-Layer Chromatography |
Rf = 0.13 (Silica, CH2Cl2/EtOAc, 1:1) |
| Wiley ID |
1858597 |
