| SpectraBase Spectrum ID |
1Yz0SArOm8 |
| Name |
Dimethyl (E)-2-(4-bromo-1-phenyl-3-propylhept-3-en-2-yl)malonate |
| Appearance |
Colorless thick oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.124922410 u |
| Formula |
C21H29BrO4 |
| InChI |
InChI=1S/C21H29BrO4/c1-5-10-16(18(22)11-6-2)17(14-15-12-8-7-9-13-15)19(20(23)25-3)21(24)26-4/h7-9,12-13,17,19H,5-6,10-11,14H2,1-4H3/b18-16+ |
| InChIKey |
NCGIMCYAWNDIMD-FBMGVBCBSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803541 |
| Molecular Weight |
425.363 g/mol |
| Quality |
282 |
| Reported Formula |
C21H29(79)BrO4 |
| SMILES |
C(C(=O)OC)(C(OC)=O)C(CC1=CC=CC=C1)\C(=C/(Br)CCC)CCC |
| SPLASH |
splash10-0007-4496000000-0a7ed7d50edd7700682b |
| Source of Spectrum |
ACI-57-SM24-7f (DOI: 10.1002/anie.201803541) |
| Wiley ID |
1893201 |
