| SpectraBase Compound ID | IxLlAmyDjRg |
|---|---|
| InChI | InChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3 |
| InChIKey | VAZWXPJOOFSNLB-UHFFFAOYSA-N |
| Mol Weight | 204.15 g/mol |
| Molecular Formula | C9H7F3O2 |
| Exact Mass | 204.039814 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3UbG4R6UNF |
|---|---|
| Name | 4-(Trifluoromethyl)-benzoic-acid, methylester |
| CAS Registry Number | 2967-66-0 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H7F3O2 |
| InChI | InChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3 |
| InChIKey | VAZWXPJOOFSNLB-UHFFFAOYSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | Org. Magn. Resonance 22, 753 (1984). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Acetone |