![(1'E)-7-(Prop-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one](/api/spectrum/8xnnMo7ygXN/structure.png?h=300&w=458 "(1'E)-7-(Prop-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one")
| SpectraBase Compound ID | JfHERrGIORk |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-2-3-9-4-5-11-12(6-9)15-8-10(13)7-14-11/h2-6H,7-8H2,1H3/b3-2+ |
| InChIKey | DKUKGRLKBQWBBS-NSCUHMNNSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8xnnMo7ygXN |
|---|---|
| Name | (1'E)-7-(Prop-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-2-3-9-4-5-11-12(6-9)15-8-10(13)7-14-11/h2-6H,7-8H2,1H3/b3-2+ |
| InChIKey | DKUKGRLKBQWBBS-NSCUHMNNSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | c12OCC(COc2ccc(\C=C\C)c1)=O |
| SPLASH | splash10-0udl-4290000000-40af091257e31cc753e8 |
| Source of Spectrum | F4-42-3034-10 |
| Wiley ID | 1674808 |