| SpectraBase Compound ID | IfrU1IpS5zM |
|---|---|
| InChI | InChI=1S/C14H10BrFO2/c15-12-9-11(16)6-7-13(12)18-14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | XMLJZNPMOWWODA-UHFFFAOYSA-N |
| Mol Weight | 309.13 g/mol |
| Molecular Formula | C14H10BrFO2 |
| Exact Mass | 307.984821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hmv7blnJP0C |
|---|---|
| Name | Phenylacetic acid, 2-bromo-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.984820723 u |
| Formula | C14H10BrFO2 |
| InChI | InChI=1S/C14H10BrFO2/c15-12-9-11(16)6-7-13(12)18-14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | XMLJZNPMOWWODA-UHFFFAOYSA-N |
| Molecular Weight | 309.134 g/mol |
| SMILES | C1=CC=CC(=C1)CC(OC1=CC=C(C=C1Br)F)=O |