| SpectraBase Spectrum ID |
7jEiI8rK8kj |
| Name |
Dimethyl (E)-2-(1-(3-bromophenyl)-4-chlorodec-3-en-2-yl)malonate |
| Appearance |
Colorless thick oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.085950078 u |
| Formula |
C21H28BrClO4 |
| InChI |
InChI=1S/C21H28BrClO4/c1-4-5-6-7-11-18(23)14-16(12-15-9-8-10-17(22)13-15)19(20(24)26-2)21(25)27-3/h8-10,13-14,16,19H,4-7,11-12H2,1-3H3/b18-14+ |
| InChIKey |
JXYKQAZOGSCJLT-NBVRZTHBSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803541 |
| Molecular Weight |
459.808 g/mol |
| Quality |
269 |
| Reported Formula |
C21H28(79)BrClO4 |
| SMILES |
COC(C(C(=O)OC)C(\C=C/(CCCCCC)Cl)CC1=CC(=CC=C1)Br)=O |
| SPLASH |
splash10-004i-1309000000-e848f52b2b79e10ec98d |
| Source of Spectrum |
ACI-57-SM15-6n (DOI: 10.1002/anie.201803541) |
| Wiley ID |
1893191 |
