| SpectraBase Spectrum ID |
LSs4LdZuW6Z |
| Name |
(2R,3R)-1,4-Di(cyclohex-1-en-1-yl)-2,3-dimethylbutane-1,4-dione |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.193280075 u |
| Formula |
C18H26O2 |
| InChI |
InChI=1S/C18H26O2/c1-13(17(19)15-9-5-3-6-10-15)14(2)18(20)16-11-7-4-8-12-16/h9,11,13-14H,3-8,10,12H2,1-2H3/t13-,14-/m1/s1 |
| InChIKey |
ZWCUOBJIAFVIHF-ZIAGYGMSSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804497 |
| Molecular Weight |
274.404 g/mol |
| Optical Rotation |
[a]D25 = 90.6 (c = 1.41, CHCl3) |
| Quality |
133 |
| Reported Formula |
C18H26O2 |
| SMILES |
C=1(CCCCC1)C([C@@]([C@](C(=O)C=1CCCCC1)(C)[H])(C)[H])=O |
| SPLASH |
splash10-0a4i-2920000000-3e4f2916d1a34d51fc93 |
| Sample Comments |
>99.9% ee |
| Source of Spectrum |
QE-24-SM18-22 (DOI: 10.1002/chem.201804497) |
| Thin-Layer Chromatography |
0.22 (cyclohexane/ethyl acetate, 20:1) |
| Wiley ID |
1901792 |
