| SpectraBase Compound ID | F02hNy3O7Qa |
|---|---|
| InChI | InChI=1S/C22H24Br2O4/c23-17-9-13-19(14-10-17)27-21(25)7-5-3-1-2-4-6-8-22(26)28-20-15-11-18(24)12-16-20/h9-16H,1-8H2 |
| InChIKey | OAYRQYGBYPQZKJ-UHFFFAOYSA-N |
| Mol Weight | 512.24 g/mol |
| Molecular Formula | C22H24Br2O4 |
| Exact Mass | 510.004135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ifqb44NwF5Y |
|---|---|
| Name | Sebacic acid, di(4-bromophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 510.004135249 u |
| Formula | C22H24Br2O4 |
| InChI | InChI=1S/C22H24Br2O4/c23-17-9-13-19(14-10-17)27-21(25)7-5-3-1-2-4-6-8-22(26)28-20-15-11-18(24)12-16-20/h9-16H,1-8H2 |
| InChIKey | OAYRQYGBYPQZKJ-UHFFFAOYSA-N |
| Molecular Weight | 512.238 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(C=C1)Br)=O)C(OC1=CC=C(C=C1)Br)=O |