| SpectraBase Compound ID | LHna186vX79 |
|---|---|
| InChI | InChI=1S/C14H8F3NO4/c15-14(16,17)10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H |
| InChIKey | PEYJNSMYALTQJK-UHFFFAOYSA-N |
| Mol Weight | 311.22 g/mol |
| Molecular Formula | C14H8F3NO4 |
| Exact Mass | 311.040542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LxALdJzJBsC |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.040542227 u |
| Formula | C14H8F3NO4 |
| InChI | InChI=1S/C14H8F3NO4/c15-14(16,17)10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H |
| InChIKey | PEYJNSMYALTQJK-UHFFFAOYSA-N |
| Molecular Weight | 311.216 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)C(F)(F)F |