| SpectraBase Spectrum ID |
7FjAixhXPPM |
| Name |
Methyl 4-((4S,5R)-2,2-dimethyl-5-vinyl-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 |
C12H20O4 |
| GC Column |
Macherey-Nagel-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C12H20O4/c1-5-9-10(16-12(2,3)15-9)7-6-8-11(13)14-4/h5,9-10H,1,6-8H2,2-4H3/t9-,10+/m1/s1 |
| InChIKey |
ZEBMHIUXGMBWHT-ZJUUUORDSA-N |
| Instrument Name |
Agilent HP6890-5937N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202201424 |
| Molecular Weight |
228.288 g/mol |
| Optical Rotation |
[a]D20 = -1.58 (436 nm), 0.12 (546 nm), -0.12 (579 nm), -0.40 (589 nm) (c = 0.84, CHCl3) |
| Quality |
168 |
| SMILES |
C1(O[C@]([C@](O1)(C=C)[H])(CCCC(OC)=O)[H])(C)C |
| SPLASH |
splash10-0a4i-9000000000-52ca11a61ab7553f52ae |
| Source of Spectrum |
K1-26-SM10-9 (DOI: 10.1002/ejoc.202201424) |
| Thin-Layer Chromatography |
0.33 (CyHex/EtOAc, 5:1) |
| Wiley ID |
1910587 |
