| SpectraBase Spectrum ID |
9nKC1Iu8cf0 |
| Name |
2-(4-(2-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)12(15(18)20-2)9-5-3-7-11-8-4-6-10-13(11)16/h4-8,10,12H,9H2,1-2H3 |
| InChIKey |
XKKBUFIPQFYSNA-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cjoc.202000300 |
| Molecular Weight |
294.734 g/mol |
| Optical Rotation |
[a]D20 = -169.2 (c = 0.435, CHCl3) |
| Reported Formula |
C15H15(35)ClO4 |
| SMILES |
C(OC)(=O)C(CC(=[C@@]=C(c1c(cccc1)Cl)[H])[H])C(=O)OC |
| SPLASH |
splash10-03di-0900000000-5dac890ea2a01aa3a00e |
| Sample Comments |
91% ee |
| Source of Spectrum |
CJC-38-SM34-(Ra)-3la |
| Wiley ID |
1856156 |
