| SpectraBase Compound ID | Gb7u4hDT0px |
|---|---|
| InChI | InChI=1S/C12H13BrO5/c1-16-11(14)8-5-9(12(15)17-2)7-10(6-8)18-4-3-13/h5-7H,3-4H2,1-2H3 |
| InChIKey | UKRYMUUJZQJTCC-UHFFFAOYSA-N |
| Mol Weight | 317.14 g/mol |
| Molecular Formula | C12H13BrO5 |
| Exact Mass | 315.994637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H18py43dEeQ |
|---|---|
| Name | 2-(2-Bromethoxy)isophthalic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.994636514 u |
| Formula | C12H13BrO5 |
| InChI | InChI=1S/C12H13BrO5/c1-16-11(14)8-5-9(12(15)17-2)7-10(6-8)18-4-3-13/h5-7H,3-4H2,1-2H3 |
| InChIKey | UKRYMUUJZQJTCC-UHFFFAOYSA-N |
| Molecular Weight | 317.135 g/mol |
| SMILES | c1(cc(cc(c1)C(=O)OC)OCCBr)C(=O)OC |