| SpectraBase Compound ID | 2w1dmkiF2lw |
|---|---|
| InChI | InChI=1S/C16H16F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | QEBZTDMGYDSMIG-UHFFFAOYSA-N |
| Mol Weight | 371.3 g/mol |
| Molecular Formula | C16H16F7NO |
| Exact Mass | 371.112011 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JewrpLWrGt8 |
|---|---|
| Name | N-Cyclohexylaniline, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.112011279 u |
| Formula | C16H16F7NO |
| InChI | InChI=1S/C16H16F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | QEBZTDMGYDSMIG-UHFFFAOYSA-N |
| Molecular Weight | 371.299 g/mol |
| SMILES | C1=C(C=CC=C1)N(C1CCCCC1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |