| SpectraBase Spectrum ID |
CMrnyKKbmBq |
| Name |
methyl (5S)-7-hydroxy-5-methyl-3-oxo-heptanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.104858991 u |
| Formula |
C9H16O4 |
| InChI |
InChI=1S/C9H16O4/c1-7(3-4-10)5-8(11)6-9(12)13-2/h7,10H,3-6H2,1-2H3/t7-/m0/s1 |
| InChIKey |
LEYCECHQKWNAMO-ZETCQYMHSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201404873 |
| Molecular Weight |
188.223 g/mol |
| Optical Rotation |
[a]D20 = +47 (c = 1.2, CHCl3) |
| Quality |
289 |
| Reported Formula |
C9H16O4 |
| SMILES |
OCC[C@@](CC(CC(OC)=O)=O)(C)[H] |
| SPLASH |
splash10-014i-7900000000-8f16fa821ec35d866b07 |
| Source of Spectrum |
QE-21-SM11-S23 (DOI: 10.1002/chem.201404873) |
| Wiley ID |
1906305 |
