| SpectraBase Compound ID | DQjO1Owur1n |
|---|---|
| InChI | InChI=1S/C19H34Br2O4/c20-14-7-3-1-5-9-16-24-18(22)12-11-13-19(23)25-17-10-6-2-4-8-15-21/h1-17H2 |
| InChIKey | PTYYYNBYGLSVSU-UHFFFAOYSA-N |
| Mol Weight | 486.3 g/mol |
| Molecular Formula | C19H34Br2O4 |
| Exact Mass | 484.082386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65NV8KvX3C0 |
|---|---|
| Name | Glutaric acid, di(7-bromoheptyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.082385571 u |
| Formula | C19H34Br2O4 |
| InChI | InChI=1S/C19H34Br2O4/c20-14-7-3-1-5-9-16-24-18(22)12-11-13-19(23)25-17-10-6-2-4-8-15-21/h1-17H2 |
| InChIKey | PTYYYNBYGLSVSU-UHFFFAOYSA-N |
| Molecular Weight | 486.285 g/mol |
| SMILES | C(CCCC(OCCCCCCCBr)=O)(OCCCCCCCBr)=O |