| SpectraBase Compound ID | tkWhQXHkKO |
|---|---|
| InChI | InChI=1S/C8H5F3O3/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2,12H,1H3 |
| InChIKey | RGYDATSCTAJHIZ-UHFFFAOYSA-N |
| Mol Weight | 206.12 g/mol |
| Molecular Formula | C8H5F3O3 |
| Exact Mass | 206.019079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KknLNQ29Sn5 |
|---|---|
| Name | 3-HYDROXY-2,4,5-TRIFLUORO-BENZOIC-ACID-METHYLESTER |
| Compound Number | 2472 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H5F3O3 |
| InChI | InChI=1S/C8H5F3O3/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2,12H,1H3 |
| InChIKey | RGYDATSCTAJHIZ-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 206.121 g/mol |
| Sample ID | 3852 |
| Solvent | DMSO-D6 |