| SpectraBase Spectrum ID |
GoBCGIVthBU |
| Name |
Dimethyl (E)-2-(4-(4-bromophenyl)-4-chloro-1-phenylbut-3-en-2-yl)malonate |
| Appearance |
Colorless thick oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.023349820 u |
| Formula |
C21H20BrClO4 |
| InChI |
InChI=1S/C21H20BrClO4/c1-26-20(24)19(21(25)27-2)16(12-14-6-4-3-5-7-14)13-18(23)15-8-10-17(22)11-9-15/h3-11,13,16,19H,12H2,1-2H3/b18-13+ |
| InChIKey |
LZAGVWGJAOYVLL-QGOAFFKASA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803541 |
| Molecular Weight |
451.744 g/mol |
| Quality |
180 |
| Reported Formula |
C21H20(79)BrClO4 |
| SMILES |
COC(C(C(=O)OC)C(\C=C/(C1=CC=C(C=C1)Br)Cl)CC1=CC=CC=C1)=O |
| SPLASH |
splash10-0006-9340000000-41fbe99ac9d826637b6a |
| Source of Spectrum |
ACI-57-SM10-6g (DOI: 10.1002/anie.201803541) |
| Wiley ID |
1893185 |
