| SpectraBase Compound ID | HSNE2Kj7NAa |
|---|---|
| InChI | InChI=1S/C14H16BrFO4/c1-2-19-13(17)5-3-4-6-14(18)20-12-8-7-10(16)9-11(12)15/h7-9H,2-6H2,1H3 |
| InChIKey | BLKVSQUXVCVMGX-UHFFFAOYSA-N |
| Mol Weight | 347.18 g/mol |
| Molecular Formula | C14H16BrFO4 |
| Exact Mass | 346.0216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyUnnbcfQ3E |
|---|---|
| Name | Adipic acid, 2-bromo-4-fluorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.021600154 u |
| Formula | C14H16BrFO4 |
| InChI | InChI=1S/C14H16BrFO4/c1-2-19-13(17)5-3-4-6-14(18)20-12-8-7-10(16)9-11(12)15/h7-9H,2-6H2,1H3 |
| InChIKey | BLKVSQUXVCVMGX-UHFFFAOYSA-N |
| Molecular Weight | 347.180 g/mol |
| SMILES | C(CCC(=O)OC1=CC=C(C=C1Br)F)CC(OCC)=O |