| SpectraBase Compound ID | HAKhXz0CVXv |
|---|---|
| InChI | InChI=1S/C16H12BrFO4/c1-2-21-15(19)11-5-3-4-6-12(11)16(20)22-14-8-7-10(18)9-13(14)17/h3-9H,2H2,1H3 |
| InChIKey | SXNQRLBYOLUHMT-UHFFFAOYSA-N |
| Mol Weight | 367.17 g/mol |
| Molecular Formula | C16H12BrFO4 |
| Exact Mass | 365.9903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkS30xCU0iZ |
|---|---|
| Name | Phthalic 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 | 365.990300025 u |
| Formula | C16H12BrFO4 |
| InChI | InChI=1S/C16H12BrFO4/c1-2-21-15(19)11-5-3-4-6-12(11)16(20)22-14-8-7-10(18)9-13(14)17/h3-9H,2H2,1H3 |
| InChIKey | SXNQRLBYOLUHMT-UHFFFAOYSA-N |
| Molecular Weight | 367.170 g/mol |
| SMILES | C(OC(C1=CC=CC=C1C(OC1=C(C=C(C=C1)F)Br)=O)=O)C |