| SpectraBase Compound ID | GyTUkBRe3WH |
|---|---|
| InChI | InChI=1S/C18H28F3NO3/c1-5-8-22(9-6-2)10-7-14-11-16(24-4)17(12-15(14)23-3)25-13-18(19,20)21/h11-12H,5-10,13H2,1-4H3 |
| InChIKey | XDTJTLKAXSVGJN-UHFFFAOYSA-N |
| Mol Weight | 363.42 g/mol |
| Molecular Formula | C18H28F3NO3 |
| Exact Mass | 363.202128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92vhKJ7ArEn |
|---|---|
| Name | 2C-o-22 2pr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.202128252 u |
| Formula | C18H28F3NO3 |
| InChI | InChI=1S/C18H28F3NO3/c1-5-8-22(9-6-2)10-7-14-11-16(24-4)17(12-15(14)23-3)25-13-18(19,20)21/h11-12H,5-10,13H2,1-4H3 |
| InChIKey | XDTJTLKAXSVGJN-UHFFFAOYSA-N |
| Molecular Weight | 363.421 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OCC(F)(F)F)OC)CCN(CCC)CCC |