| SpectraBase Compound ID | CjBQzDACM9j |
|---|---|
| InChI | InChI=1S/C18H14F7NO/c1-11-5-3-7-13(9-11)26(14-8-4-6-12(2)10-14)15(27)16(19,20)17(21,22)18(23,24)25/h3-10H,1-2H3 |
| InChIKey | YHHXAGLRSCSPLL-UHFFFAOYSA-N |
| Mol Weight | 393.3 g/mol |
| Molecular Formula | C18H14F7NO |
| Exact Mass | 393.096361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9F35CQYe0uh |
|---|---|
| Name | di-m-Tolylamine, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.096361215 u |
| Formula | C18H14F7NO |
| InChI | InChI=1S/C18H14F7NO/c1-11-5-3-7-13(9-11)26(14-8-4-6-12(2)10-14)15(27)16(19,20)17(21,22)18(23,24)25/h3-10H,1-2H3 |
| InChIKey | YHHXAGLRSCSPLL-UHFFFAOYSA-N |
| Molecular Weight | 393.305 g/mol |
| SMILES | C1=C(N(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C2=CC=CC(=C2)C)C=C(C=C1)C |