| SpectraBase Spectrum ID |
3jcUkw8BcXa |
| Name |
(Ra,Ra)-dimethyl 2,2-bis(4-(4-bromophenyl)buta-2,3-dienyl)malonate |
| Appearance |
Liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H22Br2O4 |
| InChI |
InChI=1S/C25H22Br2O4/c1-30-23(28)25(24(29)31-2,17-5-3-7-19-9-13-21(26)14-10-19)18-6-4-8-20-11-15-22(27)16-12-20/h5-16H,17-18H2,1-2H3 |
| InChIKey |
FLNNCGFTQAWQAK-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cjoc.202000300 |
| Molecular Weight |
546.255 g/mol |
| Optical Rotation |
[a]D20 = -165.6 (c = 0.915, CHCl3) |
| Reported Formula |
C25H22(79,79)Br2O4 |
| SMILES |
C(OC)(=O)C(CC(=[C@@]=C(c1ccc(cc1)Br)[H])[H])(C(=O)OC)CC(=[C@@]=C(c1ccc(cc1)Br)[H])[H] |
| SPLASH |
splash10-0002-0900000000-1a3009dc8f68247626db |
| Sample Comments |
dr = 97:3, >99% ee, >99% ee |
| Source of Spectrum |
CJC-38-SM38-(Ra,Ra)-4fa |
| Wiley ID |
1856158 |
