| SpectraBase Compound ID | LnikNY2cJTI |
|---|---|
| InChI | InChI=1S/C14H9ClF3NO3/c1-8-3-2-4-10(15)13(8)22-12-6-5-9(14(16,17)18)7-11(12)19(20)21/h2-7H,1H3 |
| InChIKey | NEBDEEMAEAGUBV-UHFFFAOYSA-N |
| Mol Weight | 331.68 g/mol |
| Molecular Formula | C14H9ClF3NO3 |
| Exact Mass | 331.022305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | or6C3cNKPO |
|---|---|
| Name | 6-Chloro-o-tolyl 2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.022305340 u |
| Formula | C14H9ClF3NO3 |
| InChI | InChI=1S/C14H9ClF3NO3/c1-8-3-2-4-10(15)13(8)22-12-6-5-9(14(16,17)18)7-11(12)19(20)21/h2-7H,1H3 |
| InChIKey | NEBDEEMAEAGUBV-UHFFFAOYSA-N |
| Molecular Weight | 331.678 g/mol |
| SMILES | C(F)(F)(F)C=1C=C(C(=CC1)OC=1C(=CC=CC1Cl)C)N(=O)=O |