| SpectraBase Compound ID | KluB8X4AIt8 |
|---|---|
| InChI | InChI=1S/C16H8F3N/c17-16(18,19)13-6-5-12-4-3-11-2-1-10(9-20)7-14(11)15(12)8-13/h1-8H |
| InChIKey | QWXSZJXJTVKDEK-UHFFFAOYSA-N |
| Mol Weight | 271.24 g/mol |
| Molecular Formula | C16H8F3N |
| Exact Mass | 271.060884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Jy6RZdXM2y |
|---|---|
| Name | 3-Cyano-6-trifluoromethylphenanthrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.060883751 u |
| Formula | C16H8F3N |
| InChI | InChI=1S/C16H8F3N/c17-16(18,19)13-6-5-12-4-3-11-2-1-10(9-20)7-14(11)15(12)8-13/h1-8H |
| InChIKey | QWXSZJXJTVKDEK-UHFFFAOYSA-N |
| Molecular Weight | 271.242 g/mol |
| SMILES | C1=C2C(C=C(C=C2)C(F)(F)F)=C2C(=C1)C=CC(=C2)C#N |