| SpectraBase Compound ID | 4AIkz6JiZma |
|---|---|
| InChI | InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+ |
| InChIKey | ISMMYAZSUSYVQG-ZZXKWVIFSA-N |
| Mol Weight | 166.15 g/mol |
| Molecular Formula | C9H7FO2 |
| Exact Mass | 166.043008 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGI8aG13bIm |
|---|---|
| Name | (E)-3-(4-Fluorophenyl)-2-propenoic-acid |
| CAS Registry Number | 14290-86-9 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H7FO2 |
| InChI | InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+ |
| InChIKey | ISMMYAZSUSYVQG-ZZXKWVIFSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | Org. Magn. Resonance 22, 753 (1984). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Acetone |