| SpectraBase Compound ID | 42l1nPKq6gQ |
|---|---|
| InChI | InChI=1S/C17H12F7NO/c18-15(19,16(20,21)17(22,23)24)14(26)25-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,25,26) |
| InChIKey | OAYDULNRCLVQGZ-UHFFFAOYSA-N |
| Mol Weight | 379.28 g/mol |
| Molecular Formula | C17H12F7NO |
| Exact Mass | 379.080711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aR30WfKCal |
|---|---|
| Name | 2-Benzylaniline, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.080711150 u |
| Formula | C17H12F7NO |
| InChI | InChI=1S/C17H12F7NO/c18-15(19,16(20,21)17(22,23)24)14(26)25-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,25,26) |
| InChIKey | OAYDULNRCLVQGZ-UHFFFAOYSA-N |
| Molecular Weight | 379.278 g/mol |
| SMILES | C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC=C1)CC1=CC=CC=C1 |