| SpectraBase Compound ID | EKfAFa7U1Fh |
|---|---|
| InChI | InChI=1S/C15H10Br2O4/c16-10-1-5-12(6-2-10)20-14(18)9-15(19)21-13-7-3-11(17)4-8-13/h1-8H,9H2 |
| InChIKey | VHCKBCLWUMPTLN-UHFFFAOYSA-N |
| Mol Weight | 414.05 g/mol |
| Molecular Formula | C15H10Br2O4 |
| Exact Mass | 411.894585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13aHMzqAHbt |
|---|---|
| Name | bis(4-Bromophenyl) malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.894584798 u |
| Formula | C15H10Br2O4 |
| InChI | InChI=1S/C15H10Br2O4/c16-10-1-5-12(6-2-10)20-14(18)9-15(19)21-13-7-3-11(17)4-8-13/h1-8H,9H2 |
| InChIKey | VHCKBCLWUMPTLN-UHFFFAOYSA-N |
| Molecular Weight | 414.049 g/mol |
| SMILES | C=1(C=CC(OC(CC(OC2=CC=C(C=C2)Br)=O)=O)=CC1)Br |