| SpectraBase Compound ID | 7nIjsg0JOCJ |
|---|---|
| InChI | InChI=1S/C18H18FNO3/c1-12(20(2)10-14-5-3-4-6-15(14)19)18(21)13-7-8-16-17(9-13)23-11-22-16/h3-9,12H,10-11H2,1-2H3 |
| InChIKey | AVZKNDHKVSFBGO-UHFFFAOYSA-N |
| Mol Weight | 315.34 g/mol |
| Molecular Formula | C18H18FNO3 |
| Exact Mass | 315.127072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqcmcnZe9M7 |
|---|---|
| Name | N-(2-Fluorobenzyl)methylone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.127071604 u |
| Formula | C18H18FNO3 |
| InChI | InChI=1S/C18H18FNO3/c1-12(20(2)10-14-5-3-4-6-15(14)19)18(21)13-7-8-16-17(9-13)23-11-22-16/h3-9,12H,10-11H2,1-2H3 |
| InChIKey | AVZKNDHKVSFBGO-UHFFFAOYSA-N |
| Molecular Weight | 315.344 g/mol |
| SMILES | C=1(C(C(N(CC=2C(=CC=CC2)F)C)C)=O)C=C2C(=CC1)OCO2 |