| SpectraBase Compound ID | AjcdHkGW9si |
|---|---|
| InChI | InChI=1S/C19H18Br2O4/c20-16-8-3-1-6-14(16)12-24-18(22)10-5-11-19(23)25-13-15-7-2-4-9-17(15)21/h1-4,6-9H,5,10-13H2 |
| InChIKey | ADYRJBVUGPIARD-UHFFFAOYSA-N |
| Mol Weight | 470.16 g/mol |
| Molecular Formula | C19H18Br2O4 |
| Exact Mass | 467.957185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3Hj5ZhLr0L |
|---|---|
| Name | Glutaric acid, di(2-bromobenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 467.957185056 u |
| Formula | C19H18Br2O4 |
| InChI | InChI=1S/C19H18Br2O4/c20-16-8-3-1-6-14(16)12-24-18(22)10-5-11-19(23)25-13-15-7-2-4-9-17(15)21/h1-4,6-9H,5,10-13H2 |
| InChIKey | ADYRJBVUGPIARD-UHFFFAOYSA-N |
| Molecular Weight | 470.157 g/mol |
| SMILES | C(OCC1=C(C=CC=C1)Br)(=O)CCCC(OCC1=CC=CC=C1Br)=O |