| SpectraBase Compound ID | 4S0UfMSk2c |
|---|---|
| InChI | InChI=1S/C17H15BrO4/c1-2-21-16(19)13-6-8-14(9-7-13)17(20)22-11-12-4-3-5-15(18)10-12/h3-10H,2,11H2,1H3 |
| InChIKey | USBKEGGACWAKMK-UHFFFAOYSA-N |
| Mol Weight | 363.21 g/mol |
| Molecular Formula | C17H15BrO4 |
| Exact Mass | 362.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8TMHkKZhYp2 |
|---|---|
| Name | Terephthalic acid, 3-bromobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.015371959 u |
| Formula | C17H15BrO4 |
| InChI | InChI=1S/C17H15BrO4/c1-2-21-16(19)13-6-8-14(9-7-13)17(20)22-11-12-4-3-5-15(18)10-12/h3-10H,2,11H2,1H3 |
| InChIKey | USBKEGGACWAKMK-UHFFFAOYSA-N |
| Molecular Weight | 363.207 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC1=CC(=CC=C1)Br)=O)C(OCC)=O |