| SpectraBase Spectrum ID |
rwh4K32JOG |
| Name |
2-Bromo-2-(3,3,3-trifluoro-1-phenylpropyl)malonic acid |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18BrF3O4 |
| InChI |
InChI=1S/C16H18BrF3O4/c1-3-23-13(21)16(17,14(22)24-4-2)12(10-15(18,19)20)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey |
BSMFTPIOBVAOPT-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technologies 5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202010839 |
| Molecular Weight |
411.215 g/mol |
| SMILES |
C(=O)(C(C(CC(F)(F)F)c1ccccc1)(C(=O)OCC)Br)OCC |
| SPLASH |
splash10-0ac0-0902000000-8fff05f1a7f132e71e6f |
| Source of Spectrum |
ACI-60-SM36-11 |
| Wiley ID |
1880183 |
