| SpectraBase Compound ID | KQpljbZUiTN |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-2-3-4-7-14-23-18(21)11-8-12-19(22)24-15-13-16-9-5-6-10-17(16)20/h5-6,9-10H,2-4,7-8,11-15H2,1H3 |
| InChIKey | JJVXZFRCYZVUTR-UHFFFAOYSA-N |
| Mol Weight | 399.33 g/mol |
| Molecular Formula | C19H27BrO4 |
| Exact Mass | 398.109272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1E5jaZKw4Oy |
|---|---|
| Name | Glutaric acid, 2-(2-bromophenyl)ethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.109272345 u |
| Formula | C19H27BrO4 |
| InChI | InChI=1S/C19H27BrO4/c1-2-3-4-7-14-23-18(21)11-8-12-19(22)24-15-13-16-9-5-6-10-17(16)20/h5-6,9-10H,2-4,7-8,11-15H2,1H3 |
| InChIKey | JJVXZFRCYZVUTR-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | C(OCCC1=CC=CC=C1Br)(=O)CCCC(OCCCCCC)=O |