| SpectraBase Compound ID | 995hDIePiXZ |
|---|---|
| InChI | InChI=1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-3-1-2-5(4-6)7(14)15/h1-4H,(H,13,16)(H,14,15) |
| InChIKey | OWVHKHGMKQTLGA-UHFFFAOYSA-N |
| Mol Weight | 233.15 g/mol |
| Molecular Formula | C9H6F3NO3 |
| Exact Mass | 233.029978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvRGRMXBAYd |
|---|---|
| Name | Benzoic acid, 3-(trifluoroacetylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.029977543 u |
| Formula | C9H6F3NO3 |
| InChI | InChI=1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-3-1-2-5(4-6)7(14)15/h1-4H,(H,13,16)(H,14,15) |
| InChIKey | OWVHKHGMKQTLGA-UHFFFAOYSA-N |
| Molecular Weight | 233.146 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)O)NC(C(F)(F)F)=O |