| SpectraBase Spectrum ID |
EIkep1G9FQW |
| Name |
(Ra)-dimethyl 2-(4-(4-bromophenyl)buta-2,3-dienyl)malonate |
| Appearance |
Liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15BrO4 |
| InChI |
InChI=1S/C15H15BrO4/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 |
YGOFRBDZSUBLPN-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cjoc.202000300 |
| Molecular Weight |
339.185 g/mol |
| Optical Rotation |
[a]D20 = -223.8 (c = 0.42, CHCl3) |
| Reported Formula |
C15H15(79)BrO4 |
| SMILES |
C(OC)(=O)C(CC(=[C@@]=C(c1ccc(cc1)Br)[H])[H])C(=O)OC |
| SPLASH |
splash10-004i-0900000000-588762b181cd9973d70c |
| Sample Comments |
91% ee |
| Source of Spectrum |
CJC-38-SM33-(Ra)-3fa |
| Wiley ID |
1856154 |
