| SpectraBase Spectrum ID |
DEF3Otx38KE |
| Name |
(S)-tert-Butyl 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 |
C17H33NO2 |
| InChI |
InChI=1S/C17H33NO2/c1-8-10-11-14(9-2)18-15(12-13(3)4)16(19)20-17(5,6)7/h10-11,13-15,18H,8-9,12H2,1-7H3/b11-10+/t14-,15-/m0/s1 |
| InChIKey |
UJJWLAHLFVLWJS-BWLFODOESA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
283.456 g/mol |
| Optical Rotation |
[a]D20 = -129.8 (365 nm), -88.1 (436 nm), -53.5 (546 nm), -47.4 (579 nm), -45.8 (589 nm) (c = 0.515 g/100 ml, CHCl3) |
| SMILES |
N([C@](\C=C\CC)(CC)[H])[C@@](CC(C)C)(C(=O)OC(C)(C)C)[H] |
| SPLASH |
splash10-001s-9800000000-fe139495e1d05ef1e516 |
| Sample Comments |
dr > 97:3 |
| Source of Spectrum |
QE-26-SM18-(S,S)-3g |
| Thin-Layer Chromatography |
Rf = 0.21 (Silica, cHex/EtOAc, 18:1) |
| Wiley ID |
1858598 |
