| SpectraBase Compound ID | IaJjs9eu1mn |
|---|---|
| InChI | InChI=1S/C18H28F3NO2/c1-5-8-22(9-6-2)10-7-14-11-17(24-4)15(12-16(14)23-3)13-18(19,20)21/h11-12H,5-10,13H2,1-4H3 |
| InChIKey | OQUKRXDTDZZQNP-UHFFFAOYSA-N |
| Mol Weight | 347.42 g/mol |
| Molecular Formula | C18H28F3NO2 |
| Exact Mass | 347.207214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7asSdgXE7R |
|---|---|
| Name | 2C-tfe 2pr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.207213633 u |
| Formula | C18H28F3NO2 |
| InChI | InChI=1S/C18H28F3NO2/c1-5-8-22(9-6-2)10-7-14-11-17(24-4)15(12-16(14)23-3)13-18(19,20)21/h11-12H,5-10,13H2,1-4H3 |
| InChIKey | OQUKRXDTDZZQNP-UHFFFAOYSA-N |
| Molecular Weight | 347.422 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)CCN(CCC)CCC)OC)CC(F)(F)F |