| SpectraBase Compound ID | 4kpac9y6Kvs |
|---|---|
| InChI | InChI=1S/C18H20FNO/c1-2-3-4-14-5-9-16(10-6-14)18(21)20-13-15-7-11-17(19)12-8-15/h5-12H,2-4,13H2,1H3,(H,20,21) |
| InChIKey | KHXQLHCETWVULF-UHFFFAOYSA-N |
| Mol Weight | 285.36 g/mol |
| Molecular Formula | C18H20FNO |
| Exact Mass | 285.152892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HABKScdDkBZ |
|---|---|
| Name | 4-Fluorobenzylamine 4-butylbenzoyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.152892430 u |
| Formula | C18H20FNO |
| InChI | InChI=1S/C18H20FNO/c1-2-3-4-14-5-9-16(10-6-14)18(21)20-13-15-7-11-17(19)12-8-15/h5-12H,2-4,13H2,1H3,(H,20,21) |
| InChIKey | KHXQLHCETWVULF-UHFFFAOYSA-N |
| Molecular Weight | 285.362 g/mol |
| SMILES | C=1(C(NCC=2C=CC(=CC2)F)=O)C=CC(=CC1)CCCC |