| SpectraBase Compound ID | 9RFuCkSOoTT |
|---|---|
| InChI | InChI=1S/C16H14F7NO2/c1-9(8-11-5-3-4-10-6-7-26-12(10)11)24(2)13(25)14(17,18)15(19,20)16(21,22)23/h3-7,9H,8H2,1-2H3 |
| InChIKey | XTSNXRHBBBDIEZ-UHFFFAOYSA-N |
| Mol Weight | 385.28 g/mol |
| Molecular Formula | C16H14F7NO2 |
| Exact Mass | 385.091276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66MxknlKv4t |
|---|---|
| Name | 7-Mapb, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.091275834 u |
| Formula | C16H14F7NO2 |
| InChI | InChI=1S/C16H14F7NO2/c1-9(8-11-5-3-4-10-6-7-26-12(10)11)24(2)13(25)14(17,18)15(19,20)16(21,22)23/h3-7,9H,8H2,1-2H3 |
| InChIKey | XTSNXRHBBBDIEZ-UHFFFAOYSA-N |
| Molecular Weight | 385.282 g/mol |
| SMILES | C(C(N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C)C1=C2C(=CC=C1)C=CO2 |