| SpectraBase Compound ID | KFLrcVleWol |
|---|---|
| InChI | InChI=1S/C13H15BrO4/c1-2-17-12(15)4-3-5-13(16)18-11-8-6-10(14)7-9-11/h6-9H,2-5H2,1H3 |
| InChIKey | MQFZHNHAAWDGJF-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 | HoCCBcw2MqA |
|---|---|
| Name | Glutaric acid, 4-bromophenyl 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)4-3-5-13(16)18-11-8-6-10(14)7-9-11/h6-9H,2-5H2,1H3 |
| InChIKey | MQFZHNHAAWDGJF-UHFFFAOYSA-N |
| Molecular Weight | 315.163 g/mol |
| SMILES | C1(=CC=C(OC(=O)CCCC(OCC)=O)C=C1)Br |