| SpectraBase Compound ID | yYwiRzlyWj |
|---|---|
| InChI | InChI=1S/C13H15BrO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3 |
| InChIKey | RIMFGYAJWSVPHU-UHFFFAOYSA-N |
| Mol Weight | 315.16 g/mol |
| Molecular Formula | C13H15BrO4 |
| Exact Mass | 314.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2o9ZUNla9d8 |
|---|---|
| Name | Succinic acid, 3-bromobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.015371959 u |
| Formula | C13H15BrO4 |
| InChI | InChI=1S/C13H15BrO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3 |
| InChIKey | RIMFGYAJWSVPHU-UHFFFAOYSA-N |
| Molecular Weight | 315.163 g/mol |
| SMILES | C(OC(=O)CCC(OCC)=O)C1=CC(=CC=C1)Br |