| SpectraBase Compound ID | 7D7gLhsBDHx |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-2-3-4-5-6-9-14-23-18(21)12-13-19(22)24-15-16-10-7-8-11-17(16)20/h7-8,10-11H,2-6,9,12-15H2,1H3 |
| InChIKey | LSDKDEKNSAGUNO-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 | Dvsrm7FIsyR |
|---|---|
| Name | Succinic acid, 2-bromobenzyl octyl 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/c1-2-3-4-5-6-9-14-23-18(21)12-13-19(22)24-15-16-10-7-8-11-17(16)20/h7-8,10-11H,2-6,9,12-15H2,1H3 |
| InChIKey | LSDKDEKNSAGUNO-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | C(CCC(OCC=1C(Br)=CC=CC1)=O)(OCCCCCCCC)=O |