| SpectraBase Compound ID | KkMV80tSjbG |
|---|---|
| InChI | InChI=1S/C18H14O2/c1-13-7-9-15(10-8-13)17-12-16(18(19)20-17)11-14-5-3-2-4-6-14/h2-12H,1H3/b16-11+ |
| InChIKey | CHAKHJKCGWRYNM-LFIBNONCSA-N |
| Mol Weight | 262.31 g/mol |
| Molecular Formula | C18H14O2 |
| Exact Mass | 262.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61nmnRPvPwe |
|---|---|
| Name | 3-Benzylidene-5-(p-methylphenyl)-2(3H)-furanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.099379689 u |
| Formula | C18H14O2 |
| InChI | InChI=1S/C18H14O2/c1-13-7-9-15(10-8-13)17-12-16(18(19)20-17)11-14-5-3-2-4-6-14/h2-12H,1H3/b16-11+ |
| InChIKey | CHAKHJKCGWRYNM-LFIBNONCSA-N |
| Molecular Weight | 262.308 g/mol |
| SMILES | C1(\C(C=C(O1)C1=CC=C(C=C1)C)=C\C=1C=CC=CC1)=O |