| SpectraBase Compound ID | AVXi0lYfbdz |
|---|---|
| InChI | InChI=1S/C16H16FNO2/c17-14-4-1-12(2-5-14)7-8-18-10-13-3-6-15-16(9-13)20-11-19-15/h1-6,9,18H,7-8,10-11H2 |
| InChIKey | GIHYLDHKZINEEO-UHFFFAOYSA-N |
| Mol Weight | 273.31 g/mol |
| Molecular Formula | C16H16FNO2 |
| Exact Mass | 273.116507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJvCqHACGV6 |
|---|---|
| Name | N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.116506920 u |
| Formula | C16H16FNO2 |
| InChI | InChI=1S/C16H16FNO2/c17-14-4-1-12(2-5-14)7-8-18-10-13-3-6-15-16(9-13)20-11-19-15/h1-6,9,18H,7-8,10-11H2 |
| InChIKey | GIHYLDHKZINEEO-UHFFFAOYSA-N |
| Molecular Weight | 273.307 g/mol |
| SMILES | C1(F)=CC=C(C=C1)CCNCC1=CC2=C(C=C1)OCO2 |