| SpectraBase Compound ID | E3sfruZukVO |
|---|---|
| InChI | InChI=1S/C21H31BrO4/c1-2-3-4-5-6-7-8-11-16-25-20(23)14-15-21(24)26-17-18-12-9-10-13-19(18)22/h9-10,12-13H,2-8,11,14-17H2,1H3 |
| InChIKey | QVIAPOVXIHISKD-UHFFFAOYSA-N |
| Mol Weight | 427.38 g/mol |
| Molecular Formula | C21H31BrO4 |
| Exact Mass | 426.140572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CAfrlZkkwET |
|---|---|
| Name | Succinic acid, 2-bromobenzyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.140572474 u |
| Formula | C21H31BrO4 |
| InChI | InChI=1S/C21H31BrO4/c1-2-3-4-5-6-7-8-11-16-25-20(23)14-15-21(24)26-17-18-12-9-10-13-19(18)22/h9-10,12-13H,2-8,11,14-17H2,1H3 |
| InChIKey | QVIAPOVXIHISKD-UHFFFAOYSA-N |
| Molecular Weight | 427.379 g/mol |
| SMILES | C(CCC(OCC=1C(Br)=CC=CC1)=O)(OCCCCCCCCCC)=O |