| SpectraBase Spectrum ID |
BUz6Ho7EO6f |
| Name |
(Ra)-dimethyl 2-(4-(4-chlorophenyl)buta-2,3-dienyl)malonate |
| Appearance |
Liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15ClO4 |
| InChI |
InChI=1S/C15H15ClO4/c1-19-14(17)13(15(18)20-2)6-4-3-5-11-7-9-12(16)10-8-11/h4-5,7-10,13H,6H2,1-2H3 |
| InChIKey |
YMVKAJWCWWKRBS-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cjoc.202000300 |
| Molecular Weight |
294.734 g/mol |
| Optical Rotation |
[a]D20 = -235.2 (c = 0.495, CHCl3) |
| Reported Formula |
C15H15(35)ClO4 |
| SMILES |
C(OC)(=O)C(CC(=[C@@]=C(c1ccc(cc1)Cl)[H])[H])C(=O)OC |
| SPLASH |
splash10-03di-0900000000-5dac890ea2a01aa3a00e |
| Sample Comments |
91% ee |
| Source of Spectrum |
CJC-38-SM33-(Ra)-3ja |
| Wiley ID |
1856155 |
