| SpectraBase Compound ID | Jk9QzCqRTMU |
|---|---|
| InChI | InChI=1S/C14H16F5NO2/c1-22-11-7-5-10(6-8-11)4-2-3-9-20-12(21)13(15,16)14(17,18)19/h5-8H,2-4,9H2,1H3,(H,20,21) |
| InChIKey | PEIIDYVCXNCOSI-UHFFFAOYSA-N |
| Mol Weight | 325.28 g/mol |
| Molecular Formula | C14H16F5NO2 |
| Exact Mass | 325.11012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8O8Z7XHW7JR |
|---|---|
| Name | 4-(4-Methoxyphenyl)butylamine, N-pentafluoropropionyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.110119572 u |
| Formula | C14H16F5NO2 |
| InChI | InChI=1S/C14H16F5NO2/c1-22-11-7-5-10(6-8-11)4-2-3-9-20-12(21)13(15,16)14(17,18)19/h5-8H,2-4,9H2,1H3,(H,20,21) |
| InChIKey | PEIIDYVCXNCOSI-UHFFFAOYSA-N |
| Molecular Weight | 325.279 g/mol |
| SMILES | COC1=CC=C(CCCCNC(=O)C(F)(F)C(F)(F)F)C=C1 |