![4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid](/api/spectrum/1KHqdySH2Dj/structure.png?h=300&w=458 "4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid")
| SpectraBase Compound ID | 1IgvO0GmsIR |
|---|---|
| InChI | InChI=1S/C15H13BrO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18) |
| InChIKey | GATMQUPWPCOCMJ-UHFFFAOYSA-N |
| Mol Weight | 337.17 g/mol |
| Molecular Formula | C15H13BrO4 |
| Exact Mass | 335.999722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KHqdySH2Dj |
|---|---|
| Name | 4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.999721895 u |
| Formula | C15H13BrO4 |
| InChI | InChI=1S/C15H13BrO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18) |
| InChIKey | GATMQUPWPCOCMJ-UHFFFAOYSA-N |
| Molecular Weight | 337.169 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)COC1=C(C=C(C=C1)C(=O)O)OC |