| SpectraBase Compound ID | INJgZDSYjvz |
|---|---|
| InChI | InChI=1S/C18H32Br2O4/c19-13-7-1-3-9-15-23-17(21)11-5-6-12-18(22)24-16-10-4-2-8-14-20/h1-16H2 |
| InChIKey | CNAPTNJUZWAAOM-UHFFFAOYSA-N |
| Mol Weight | 472.3 g/mol |
| Molecular Formula | C18H32Br2O4 |
| Exact Mass | 470.066736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CZLo6we9OO |
|---|---|
| Name | Adipic acid bis(6-bromohexyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.066735506 u |
| Formula | C18H32Br2O4 |
| InChI | InChI=1S/C18H32Br2O4/c19-13-7-1-3-9-15-23-17(21)11-5-6-12-18(22)24-16-10-4-2-8-14-20/h1-16H2 |
| InChIKey | CNAPTNJUZWAAOM-UHFFFAOYSA-N |
| Molecular Weight | 472.258 g/mol |
| SMILES | C(=O)(OCCCCCCBr)CCCCC(=O)OCCCCCCBr |