| SpectraBase Compound ID | JRw5ORBkfCz |
|---|---|
| InChI | InChI=1S/C15H11Br3O2/c16-11-8-12(17)15(13(18)9-11)20-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2 |
| InChIKey | YYRRMUOWEUSAGZ-UHFFFAOYSA-N |
| Mol Weight | 462.96 g/mol |
| Molecular Formula | C15H11Br3O2 |
| Exact Mass | 459.830919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DT6JdU9U8HV |
|---|---|
| Name | 2,4,6-Tribromophenyl-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.830918592 u |
| Formula | C15H11Br3O2 |
| InChI | InChI=1S/C15H11Br3O2/c16-11-8-12(17)15(13(18)9-11)20-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2 |
| InChIKey | YYRRMUOWEUSAGZ-UHFFFAOYSA-N |
| Molecular Weight | 462.963 g/mol |
| SMILES | C1(=C(C=C(C=C1Br)Br)Br)OC(CCC1=CC=CC=C1)=O |