| SpectraBase Compound ID | LwoPhxmPJnS |
|---|---|
| InChI | InChI=1S/C15H8F3NO2/c16-15(17,18)12-5-3-11(4-6-12)14(20)21-13-7-1-10(9-19)2-8-13/h1-8H |
| InChIKey | FMQZMNLXCPDUQX-UHFFFAOYSA-N |
| Mol Weight | 291.23 g/mol |
| Molecular Formula | C15H8F3NO2 |
| Exact Mass | 291.050713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6rpRsqWQ0GY |
|---|---|
| Name | 4-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)12-5-3-11(4-6-12)14(20)21-13-7-1-10(9-19)2-8-13/h1-8H |
| InChIKey | FMQZMNLXCPDUQX-UHFFFAOYSA-N |
| Molecular Weight | 291.229 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC1=CC=C(C#N)C=C1)=O)C(F)(F)F |