| SpectraBase Compound ID | 6brv94V3wcz |
|---|---|
| InChI | InChI=1S/C18H13F3/c19-18(20,21)17-9-6-13(7-10-17)11-14-5-8-15-3-1-2-4-16(15)12-14/h1-10,12H,11H2 |
| InChIKey | ADMZUVPKWJNZMY-UHFFFAOYSA-N |
| Mol Weight | 286.3 g/mol |
| Molecular Formula | C18H13F3 |
| Exact Mass | 286.096935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvyJH9S3q66 |
|---|---|
| Name | 2-(4-(Trifluoromethyl)benzyl)naphthalene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.096934908 u |
| Formula | C18H13F3 |
| InChI | InChI=1S/C18H13F3/c19-18(20,21)17-9-6-13(7-10-17)11-14-5-8-15-3-1-2-4-16(15)12-14/h1-10,12H,11H2 |
| InChIKey | ADMZUVPKWJNZMY-UHFFFAOYSA-N |
| Molecular Weight | 286.297 g/mol |
| SMILES | C=1C(=CC=C2C=CC=CC12)CC=1C=CC(=CC1)C(F)(F)F |