| SpectraBase Compound ID | HujTu0mlru1 |
|---|---|
| InChI | InChI=1S/C18H24FNO2/c1-2-3-13-22-18(21)16-14-20(12-8-4-7-11-19)17-10-6-5-9-15(16)17/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3 |
| InChIKey | VIWXHFLEIRDQLE-UHFFFAOYSA-N |
| Mol Weight | 305.39 g/mol |
| Molecular Formula | C18H24FNO2 |
| Exact Mass | 305.179107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcmpCX4Alzr |
|---|---|
| Name | 5F-pb-22 Butylester analogue |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.179107178 u |
| Formula | C18H24FNO2 |
| InChI | InChI=1S/C18H24FNO2/c1-2-3-13-22-18(21)16-14-20(12-8-4-7-11-19)17-10-6-5-9-15(16)17/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3 |
| InChIKey | VIWXHFLEIRDQLE-UHFFFAOYSA-N |
| Molecular Weight | 305.393 g/mol |
| SMILES | C=12C=CC=CC1N(C=C2C(OCCCC)=O)CCCCCF |