| SpectraBase Compound ID | Lc1Qsy29seu |
|---|---|
| InChI | InChI=1S/C11H5F6NO4/c12-10(13,14)8(20)18-6-3-1-5(2-4-6)7(19)22-9(21)11(15,16)17/h1-4H,(H,18,20) |
| InChIKey | JHXIHVYKFWOXHJ-UHFFFAOYSA-N |
| Mol Weight | 329.15 g/mol |
| Molecular Formula | C11H5F6NO4 |
| Exact Mass | 329.012277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQUJ9yS0L7R |
|---|---|
| Name | 4-Aminobenzoic acid, N,o-bis(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.012276619 u |
| Formula | C11H5F6NO4 |
| InChI | InChI=1S/C11H5F6NO4/c12-10(13,14)8(20)18-6-3-1-5(2-4-6)7(19)22-9(21)11(15,16)17/h1-4H,(H,18,20) |
| InChIKey | JHXIHVYKFWOXHJ-UHFFFAOYSA-N |
| Molecular Weight | 329.154 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OC(C(F)(F)F)=O)NC(C(F)(F)F)=O |