| SpectraBase Compound ID | 440Zg7DZ2aV |
|---|---|
| InChI | InChI=1S/C14H7ClF4O/c15-11-6-5-8(14(17,18)19)7-10(11)13(20)9-3-1-2-4-12(9)16/h1-7H |
| InChIKey | LBCXOCBSOIKQFT-UHFFFAOYSA-N |
| Mol Weight | 302.66 g/mol |
| Molecular Formula | C14H7ClF4O |
| Exact Mass | 302.012155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACGqnTJBXaj |
|---|---|
| Name | (2-Chloro-5-(trifluoromethyl)phenyl)(2-fluorophenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.012155196 u |
| Formula | C14H7ClF4O |
| InChI | InChI=1S/C14H7ClF4O/c15-11-6-5-8(14(17,18)19)7-10(11)13(20)9-3-1-2-4-12(9)16/h1-7H |
| InChIKey | LBCXOCBSOIKQFT-UHFFFAOYSA-N |
| Molecular Weight | 302.656 g/mol |
| SMILES | C=1C(=C(C(C2=CC=CC=C2F)=O)C=C(C1)C(F)(F)F)Cl |