![3-[(E)-2-phenylethenyl]-1-benzopyran-4-one](/api/spectrum/3rAiyECskzj/structure.png?h=300&w=458 "3-[(E)-2-phenylethenyl]-1-benzopyran-4-one")
| SpectraBase Compound ID | ItvsWYwI6GP |
|---|---|
| InChI | InChI=1S/C17H12O2/c18-17-14(11-10-13-6-2-1-3-7-13)12-19-16-9-5-4-8-15(16)17/h1-12H/b11-10+ |
| InChIKey | OJOZCFQKBIPBPF-ZHACJKMWSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C17H12O2 |
| Exact Mass | 248.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rAiyECskzj |
|---|---|
| Name | 3-[(E)-2-Phenylethenyl]-1-benzopyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.083729624 u |
| Formula | C17H12O2 |
| InChI | InChI=1S/C17H12O2/c18-17-14(11-10-13-6-2-1-3-7-13)12-19-16-9-5-4-8-15(16)17/h1-12H/b11-10+ |
| InChIKey | OJOZCFQKBIPBPF-ZHACJKMWSA-N |
| Molecular Weight | 248.281 g/mol |
| SMILES | C1(C(=COC2=C1C=CC=C2)\C=C\C=1C=CC=CC1)=O |