![(1'E)-7-(But-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one](/api/spectrum/4ao1183c7mm/structure.png?h=300&w=458 "(1'E)-7-(But-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one")
| SpectraBase Compound ID | AeBmJQy56XV |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-2-3-4-10-5-6-12-13(7-10)16-9-11(14)8-15-12/h3-7H,2,8-9H2,1H3/b4-3+ |
| InChIKey | QCUDSPRHXINNPD-ONEGZZNKSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ao1183c7mm |
|---|---|
| Name | (1'E)-7-(But-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c1-2-3-4-10-5-6-12-13(7-10)16-9-11(14)8-15-12/h3-7H,2,8-9H2,1H3/b4-3+ |
| InChIKey | QCUDSPRHXINNPD-ONEGZZNKSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | c12OCC(COc2ccc(\C=C\CC)c1)=O |
| SPLASH | splash10-014i-3090000000-e8c1e43a92123946658f |
| Source of Spectrum | F4-42-3034-13 |
| Wiley ID | 1674805 |