| SpectraBase Spectrum ID |
EVhUiyPO3Mx |
| Name |
Ethyl (6S)-5-Hydroxy-2,6-dimethyl-3-oxooctanoate |
| Appearance |
Pale yellow oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.151809184 u |
| Formula |
C12H22O4 |
| InChI |
InChI=1S/C12H22O4/c1-5-8(3)10(13)7-11(14)9(4)12(15)16-6-2/h8-10,13H,5-7H2,1-4H3/t8-,9?,10?/m0/s1 |
| InChIKey |
BQIWVQQSXGFKOS-IDKOKCKLSA-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 |
230.304 g/mol |
| Optical Rotation |
[a]D21.5 = -20.4 (c = 1, EtOH) |
| Quality |
717 |
| Reported Formula |
C12H22O4 |
| SMILES |
OC(CC(C(C(OCC)=O)C)=O)[C@](CC)(C)[H] |
| SPLASH |
splash10-0kk9-9500000000-558ee9f789bde70f2c1b |
| Sample Comments |
dr = 2:2:1:1 |
| Source of Spectrum |
K1-2018-3150-15 (DOI: 10.1002/ejoc.201800621) |
| Thin-Layer Chromatography |
0.20 (cyclohexane/EtOAc, 5:1) |
| Wiley ID |
1894071 |
