| SpectraBase Compound ID | EHMJUgovWR2 |
|---|---|
| InChI | InChI=1S/C15H8F3NO2/c16-15(17,18)12-3-1-2-11(8-12)14(20)21-13-6-4-10(9-19)5-7-13/h1-8H |
| InChIKey | QMHXNDKFGOVRPY-UHFFFAOYSA-N |
| Mol Weight | 291.23 g/mol |
| Molecular Formula | C15H8F3NO2 |
| Exact Mass | 291.050713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdCD0Rv1vdz |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.050712989 u |
| Formula | C15H8F3NO2 |
| InChI | InChI=1S/C15H8F3NO2/c16-15(17,18)12-3-1-2-11(8-12)14(20)21-13-6-4-10(9-19)5-7-13/h1-8H |
| InChIKey | QMHXNDKFGOVRPY-UHFFFAOYSA-N |
| Molecular Weight | 291.229 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC1=CC=C(C#N)C=C1)=O)C(F)(F)F |