| SpectraBase Compound ID | HVc1bgkOAKA |
|---|---|
| InChI | InChI=1S/C16H12Br2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2 |
| InChIKey | VOJRFGKKQMVGPH-UHFFFAOYSA-N |
| Mol Weight | 396.08 g/mol |
| Molecular Formula | C16H12Br2O2 |
| Exact Mass | 393.920406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGPgF79uCE3 |
|---|---|
| Name | 1,4-Butanedione, 1,4-bis(4-bromophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.920405624 u |
| Formula | C16H12Br2O2 |
| InChI | InChI=1S/C16H12Br2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2 |
| InChIKey | VOJRFGKKQMVGPH-UHFFFAOYSA-N |
| Molecular Weight | 396.078 g/mol |
| SMILES | C(C(=O)C1=CC=C(C=C1)Br)CC(=O)C1=CC=C(C=C1)Br |