| SpectraBase Compound ID | AyB0gn3Ir95 |
|---|---|
| InChI | InChI=1S/C13H8FNO3/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(8-10)15(17)18/h1-8H |
| InChIKey | AOHVHRTYAQSPFQ-UHFFFAOYSA-N |
| Mol Weight | 245.21 g/mol |
| Molecular Formula | C13H8FNO3 |
| Exact Mass | 245.048821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vtaqSRZxUD |
|---|---|
| Name | (4-Fluorophenyl)(3-nitrophenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.048821282 u |
| Formula | C13H8FNO3 |
| InChI | InChI=1S/C13H8FNO3/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(8-10)15(17)18/h1-8H |
| InChIKey | AOHVHRTYAQSPFQ-UHFFFAOYSA-N |
| Molecular Weight | 245.209 g/mol |
| SMILES | C1=CC(C(=O)C2=CC=CC(=C2)N(=O)=O)=CC=C1F |