| SpectraBase Compound ID | AP3Je2ZLADN |
|---|---|
| InChI | InChI=1S/C16H12F3NO3/c17-16(18,19)11-4-3-5-12(10-11)20-14-7-2-1-6-13(14)15(22)23-9-8-21/h1-8,10,20H,9H2 |
| InChIKey | JMHJYPDCXIJVQM-UHFFFAOYSA-N |
| Mol Weight | 323.27 g/mol |
| Molecular Formula | C16H12F3NO3 |
| Exact Mass | 323.076928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BHtGka5Swqy |
|---|---|
| Name | Etofenamate-m/artifact (oxoethyl-) P1048 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.076927736 u |
| Formula | C16H12F3NO3 |
| InChI | InChI=1S/C16H12F3NO3/c17-16(18,19)11-4-3-5-12(10-11)20-14-7-2-1-6-13(14)15(22)23-9-8-21/h1-8,10,20H,9H2 |
| InChIKey | JMHJYPDCXIJVQM-UHFFFAOYSA-N |
| Molecular Weight | 323.271 g/mol |
| SMILES | C=1C=C(C(=O)OCC=O)C(NC=2C=C(C(F)(F)F)C=CC2)=CC1 |