| SpectraBase Compound ID | CU0NMI9I3Qy |
|---|---|
| InChI | InChI=1S/C16H10F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,24,25) |
| InChIKey | PAPZJOWQLNHXMR-UHFFFAOYSA-N |
| Mol Weight | 365.25 g/mol |
| Molecular Formula | C16H10F7NO |
| Exact Mass | 365.065061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIoBeGrxu13 |
|---|---|
| Name | 4-Aminobiphenyl, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.065061086 u |
| Formula | C16H10F7NO |
| InChI | InChI=1S/C16H10F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,24,25) |
| InChIKey | PAPZJOWQLNHXMR-UHFFFAOYSA-N |
| Molecular Weight | 365.251 g/mol |
| SMILES | C1(C2=CC=CC=C2)=CC=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |