| SpectraBase Spectrum ID |
9DxPGATWKEe |
| Name |
Methyl 4-((4S,5R)-5-(hydroxymethyl)-2, 2-dimethyl-1,3-dioxolane-4-yl) butanoate |
| Appearance |
Colorless oil |
| Carrier Gas |
Hydrogen (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H20O5 |
| GC Column |
Macherey-Nagel-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C11H20O5/c1-11(2)15-8(9(7-12)16-11)5-4-6-10(13)14-3/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1 |
| InChIKey |
HLVMKHVPRFGNHY-DTWKUNHWSA-N |
| Instrument Name |
Agilent HP6890-5937N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202201424 |
| Molecular Weight |
232.276 g/mol |
| Optical Rotation |
[a]D20 = -43.3 (436 nm), -26.4 (546 nm), -23.4 (579 nm), -22.4 (589 nm) (c = 1.54, CHCl3) |
| Quality |
362 |
| SMILES |
OC[C@@]1([C@@](OC(O1)(C)C)(CCCC(OC)=O)[H])[H] |
| SPLASH |
splash10-0006-9820000000-5679a846019ceb4657b5 |
| Source of Spectrum |
K1-26-SM8-29 (DOI: 10.1002/ejoc.202201424) |
| Thin-Layer Chromatography |
0.57 (EtOAc) |
| Wiley ID |
1910580 |
