| SpectraBase Spectrum ID |
4RWffLM2gwl |
| Name |
Methyl (E)-4-((4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-yl)but-2-enoate |
| Appearance |
Colorless oil |
| Carrier Gas |
Hydrogen (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.115423675 u |
| Formula |
C11H18O5 |
| GC Column |
Macherey-Nagel-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C11H18O5/c1-11(2)15-8(9(7-12)16-11)5-4-6-10(13)14-3/h4,6,8-9,12H,5,7H2,1-3H3/b6-4+/t8-,9+/m0/s1 |
| InChIKey |
LUVYDJKRPIDKII-HNEWHRDISA-N |
| Instrument Name |
Agilent HP6890-5937N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202201424 |
| Molecular Weight |
230.260 g/mol |
| Optical Rotation |
[a]D20 = -69.7 (436 nm), -37.0 (546 nm), -31.6 (579 nm) (c = 1.52, CHCl3) |
| Quality |
315 |
| SMILES |
OC[C@@]1([C@@](OC(O1)(C)C)(C\C=C\C(OC)=O)[H])[H] |
| SPLASH |
splash10-0a4i-9420000000-092bec9ca73c9d5a18e3 |
| Sample Comments |
E/Z = 2.3:1 |
| Source of Spectrum |
K1-26-SM7-8 (DOI: 10.1002/ejoc.202201424) |
| Thin-Layer Chromatography |
0.69 (EtOAc) |
| Wiley ID |
1910586 |
