| SpectraBase Compound ID | DptoVPKex6k |
|---|---|
| InChI | InChI=1S/C12H9FO2/c1-8-6-10(12(14)15-8)7-9-2-4-11(13)5-3-9/h2-7H,1H3/b10-7+ |
| InChIKey | GRUBGJOFOXTPSP-JXMROGBWSA-N |
| Mol Weight | 204.2 g/mol |
| Molecular Formula | C12H9FO2 |
| Exact Mass | 204.058658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I79izJHfxnj |
|---|---|
| Name | (3E)-3-(4-Fluorobenzylidene)-5-methyl-furan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.058657691 u |
| Formula | C12H9FO2 |
| InChI | InChI=1S/C12H9FO2/c1-8-6-10(12(14)15-8)7-9-2-4-11(13)5-3-9/h2-7H,1H3/b10-7+ |
| InChIKey | GRUBGJOFOXTPSP-JXMROGBWSA-N |
| Molecular Weight | 204.200 g/mol |
| SMILES | C1(\C(C=C(O1)C)=C\C1=CC=C(C=C1)F)=O |