| SpectraBase Spectrum ID |
2WHdSxYKN6J |
| Name |
(5S,6R)-Methyl 5,6-dihydroxyoct-7-enoate |
| Appearance |
Colorless oil |
| Carrier Gas |
Hydrogen (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.104858991 u |
| Formula |
C9H16O4 |
| GC Column |
Macherey-Nagel-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C9H16O4/c1-3-7(10)8(11)5-4-6-9(12)13-2/h3,7-8,10-11H,1,4-6H2,2H3/t7-,8+/m1/s1 |
| InChIKey |
WYDHJVHAOXZPNZ-SFYZADRCSA-N |
| Instrument Name |
Agilent HP6890-5937N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202201424 |
| Molecular Weight |
188.223 g/mol |
| Optical Rotation |
[a]D20 = -1.86 (436 nm), 0.57 (546 nm), 0.52 (579 nm), -0.43 (589 nm) (c = 0.70, CHCl3) |
| Quality |
243 |
| SMILES |
O[C@]([C@@](C=C)(O)[H])(CCCC(OC)=O)[H] |
| SPLASH |
splash10-000g-9500000000-9110b0ddc61464b6ea1b |
| Source of Spectrum |
K1-26-SM23-37 (DOI: 10.1002/ejoc.202201424) |
| Thin-Layer Chromatography |
0.21 (CyHex/EtOAc, 1:1) |
| Wiley ID |
1910584 |
