| SpectraBase Spectrum ID |
4pjDx1xNxbM |
| Name |
ethyl (6S)-5-hydroxy-2,6-dimethyl-3-oxo-oct-4-enoate |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-5-8(3)10(13)7-11(14)9(4)12(15)16-6-2/h7-9,13H,5-6H2,1-4H3/t8-,9?/m0/s1 |
| InChIKey |
VXOKBPSRQRQBFR-IENPIDJESA-N |
| Inlet Type |
Split injector |
| Instrument Name |
HP 7890B-5977A inert mass detector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800621 |
| Molecular Weight |
228.288 g/mol |
| Optical Rotation |
[a]D22 = +24.2 (c = 0.8, DCM) |
| Quality |
303 |
| Reported Formula |
C12H20O4 |
| SMILES |
OC(=CC(C(C(OCC)=O)C)=O)[C@](CC)(C)[H] |
| SPLASH |
splash10-00b9-2900000000-bd31f02fcde9371bca97 |
| Sample Comments |
Mixtute of diastereomeres (1:1) |
| Source of Spectrum |
K1-2018-3151-16 (DOI: 10.1002/ejoc.201800621) |
| Thin-Layer Chromatography |
0.73 (petroleum ether/Et2O, 5:1) |
| Wiley ID |
1894072 |
