| SpectraBase Compound ID | Lw34Y71LUVJ |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-2-3-4-5-14-23-18(21)7-6-8-19(22)24-15-13-16-9-11-17(20)12-10-16/h9-12H,2-8,13-15H2,1H3 |
| InChIKey | BZETXCVQWSVHTD-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 | Dp5nnHGujS1 |
|---|---|
| Name | Glutaric acid, 2-(4-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/c1-2-3-4-5-14-23-18(21)7-6-8-19(22)24-15-13-16-9-11-17(20)12-10-16/h9-12H,2-8,13-15H2,1H3 |
| InChIKey | BZETXCVQWSVHTD-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | C(OCCC1=CC=C(C=C1)Br)(=O)CCCC(OCCCCCC)=O |