| SpectraBase Spectrum ID |
Ka9xAcSZiU1 |
| Name |
Dimethyl (E)-2-(4-(4-tert-butylphenyl)-1-(2,6-dichlorophenyl)-4-iodobut-3-en-2-yl)malonate |
| Appearance |
Colorless thick oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.033109745 u |
| Formula |
C25H27Cl2IO4 |
| InChI |
InChI=1S/C25H27Cl2IO4/c1-25(2,3)17-11-9-15(10-12-17)21(28)14-16(22(23(29)31-4)24(30)32-5)13-18-19(26)7-6-8-20(18)27/h6-12,14,16,22H,13H2,1-5H3/b21-14+ |
| InChIKey |
DFCOIFIYYZLAFV-KGENOOAVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803541 |
| Molecular Weight |
589.297 g/mol |
| Quality |
212 |
| Reported Formula |
C25H27Cl2IO4 |
| SMILES |
C(C(=O)OC)(C(=O)OC)C(CC1=C(C=CC=C1Cl)Cl)\C=C/(I)C1=CC=C(C=C1)C(C)(C)C |
| SPLASH |
splash10-0bt9-3249630000-c16b13ef631db8266e69 |
| Source of Spectrum |
ACI-57-SM26-8d (DOI: 10.1002/anie.201803541) |
| Wiley ID |
1893205 |
