| SpectraBase Compound ID | 16JomnjKS3h |
|---|---|
| InChI | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | SWKPKONEIZGROQ-UHFFFAOYSA-N |
| Mol Weight | 190.12 g/mol |
| Molecular Formula | C8H5F3O2 |
| Exact Mass | 190.024164 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rqROpQ1RnM |
|---|---|
| Name | 4-Trifluoromethyl-benzoic acid |
| CAS Registry Number | 455-24-3 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H5F3O2 |
| InChI | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | SWKPKONEIZGROQ-UHFFFAOYSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | Org. Magn. Resonance 22, 753 (1984). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Acetone |