| SpectraBase Spectrum ID |
3ocQO0oAWPZ |
| Name |
Dimethyl (E)-2-(4-cyclohexyl-4-iodo-1-phenylbut-3-en-2-yl)malonate |
| Appearance |
Light yellow thick oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.095404345 u |
| Formula |
C21H27IO4 |
| InChI |
InChI=1S/C21H27IO4/c1-25-20(23)19(21(24)26-2)17(13-15-9-5-3-6-10-15)14-18(22)16-11-7-4-8-12-16/h3,5-6,9-10,14,16-17,19H,4,7-8,11-13H2,1-2H3/b18-14+ |
| InChIKey |
NETKYGONTOYNLV-NBVRZTHBSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803541 |
| Molecular Weight |
470.347 g/mol |
| Quality |
255 |
| Reported Formula |
C21H27IO4 |
| SMILES |
C(C(=O)OC)(C(OC)=O)C(CC1=CC=CC=C1)\C=C/(I)C1CCCCC1 |
| SPLASH |
splash10-000l-1119000000-bdcc57c3d55b7b2c9c62 |
| Source of Spectrum |
ACI-57-SM25-8c (DOI: 10.1002/anie.201803541) |
| Wiley ID |
1893204 |
