| SpectraBase Compound ID | GoQQLVC8PvH |
|---|---|
| InChI | InChI=1S/C16H14F3NO3/c1-22-12-7-8-13(14(9-12)23-2)20-15(21)10-3-5-11(6-4-10)16(17,18)19/h3-9H,1-2H3,(H,20,21) |
| InChIKey | WRDUYFLJBGSGSG-UHFFFAOYSA-N |
| Mol Weight | 325.29 g/mol |
| Molecular Formula | C16H14F3NO3 |
| Exact Mass | 325.092578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BfM2vW4YjD8 |
|---|---|
| Name | Benzamide, 4-trifluoromethyl-N-(2,4-dimethoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.092577801 u |
| Formula | C16H14F3NO3 |
| InChI | InChI=1S/C16H14F3NO3/c1-22-12-7-8-13(14(9-12)23-2)20-15(21)10-3-5-11(6-4-10)16(17,18)19/h3-9H,1-2H3,(H,20,21) |
| InChIKey | WRDUYFLJBGSGSG-UHFFFAOYSA-N |
| Molecular Weight | 325.287 g/mol |
| SMILES | C1(=CC=C(C=C1)C(F)(F)F)C(NC=1C(OC)=CC(OC)=CC1)=O |