| SpectraBase Compound ID | J7bbZzv9lo6 |
|---|---|
| InChI | InChI=1S/C14H10BrFO3/c1-18-11-4-2-3-9(7-11)14(17)19-13-6-5-10(16)8-12(13)15/h2-8H,1H3 |
| InChIKey | DJTKDHRPVWRPQY-UHFFFAOYSA-N |
| Mol Weight | 325.13 g/mol |
| Molecular Formula | C14H10BrFO3 |
| Exact Mass | 323.979735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jVByv0GO1T |
|---|---|
| Name | m-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.979735342 u |
| Formula | C14H10BrFO3 |
| InChI | InChI=1S/C14H10BrFO3/c1-18-11-4-2-3-9(7-11)14(17)19-13-6-5-10(16)8-12(13)15/h2-8H,1H3 |
| InChIKey | DJTKDHRPVWRPQY-UHFFFAOYSA-N |
| Molecular Weight | 325.133 g/mol |
| SMILES | C1(=CC=CC(=C1)OC)C(OC1=CC=C(C=C1Br)F)=O |