![N-[2-(4-Fluorophenyl)ethyl]-3-methylbenzamide](/api/spectrum/BOjnM728aOu/structure.png?h=300&w=458 "N-[2-(4-Fluorophenyl)ethyl]-3-methylbenzamide")
| SpectraBase Compound ID | 1GEStD8WL8u |
|---|---|
| InChI | InChI=1S/C16H16FNO/c1-12-3-2-4-14(11-12)16(19)18-10-9-13-5-7-15(17)8-6-13/h2-8,11H,9-10H2,1H3,(H,18,19) |
| InChIKey | XHLUWPSLHOXZHM-UHFFFAOYSA-N |
| Mol Weight | 257.31 g/mol |
| Molecular Formula | C16H16FNO |
| Exact Mass | 257.121592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOjnM728aOu |
|---|---|
| Name | N-[2-(4-Fluorophenyl)ethyl]-3-methylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.121592301 u |
| Formula | C16H16FNO |
| InChI | InChI=1S/C16H16FNO/c1-12-3-2-4-14(11-12)16(19)18-10-9-13-5-7-15(17)8-6-13/h2-8,11H,9-10H2,1H3,(H,18,19) |
| InChIKey | XHLUWPSLHOXZHM-UHFFFAOYSA-N |
| Molecular Weight | 257.308 g/mol |
| SMILES | C1(C(NCCC2=CC=C(C=C2)F)=O)=CC(=CC=C1)C |