| SpectraBase Spectrum ID |
HkEbEFFz7dh |
| Name |
Methyl 4-((4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolane-4-yl)butanoate |
| Appearance |
Yellow 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/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1 |
| InChIKey |
WQQSWEXRXFUPJG-DTWKUNHWSA-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 = -31.3 (436 nm), -20.0 (546 nm), -17.8 (579 nm), -17.3 (589 nm) (c = 0.94, CHCl3) |
| Quality |
218 |
| SMILES |
C1(O[C@]([C@](O1)(C=O)[H])(CCCC(OC)=O)[H])(C)C |
| SPLASH |
splash10-0006-9610000000-4788db85547e52ebb9e3 |
| Source of Spectrum |
K1-26-SM9-30 (DOI: 10.1002/ejoc.202201424) |
| Thin-Layer Chromatography |
0.13 (CyHex/EtOAc, 5:1) |
| Wiley ID |
1910581 |
