![(3E)-3-[(3E)-4-phenylbut-3-en-1-ylidene]-2-benzofuran-1(3H)-one](/api/spectrum/7zxNcgnUusz/structure.png?h=300&w=458 "(3E)-3-[(3E)-4-phenylbut-3-en-1-ylidene]-2-benzofuran-1(3H)-one")
| SpectraBase Compound ID | 9JcTNrBYCDk |
|---|---|
| InChI | InChI=1S/C18H14O2/c19-18-16-12-6-5-11-15(16)17(20-18)13-7-4-10-14-8-2-1-3-9-14/h1-6,8-13H,7H2/b10-4+,17-13+ |
| InChIKey | KNDRKUWLMKMEFT-SEJBLAOMSA-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 | 7zxNcgnUusz |
|---|---|
| Name | (3E)-3-[(3E)-4-Phenylbut-3-en-1-ylidene]-2-benzofuran-1(3H)-one |
| 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/c19-18-16-12-6-5-11-15(16)17(20-18)13-7-4-10-14-8-2-1-3-9-14/h1-6,8-13H,7H2/b10-4+,17-13+ |
| InChIKey | KNDRKUWLMKMEFT-SEJBLAOMSA-N |
| Molecular Weight | 262.308 g/mol |
| SMILES | C=1C=C2C(=CC1)\C(=C/C\C=C\C1=CC=CC=C1)OC2=O |