![4,5,6,7,8,9-Hexahydrobenzo[b]oxepin-3-one](/api/spectrum/As7GUIg72Rj/structure.png?h=300&w=458 "4,5,6,7,8,9-Hexahydrobenzo[b]oxepin-3-one")
| SpectraBase Compound ID | 5ZQkMcnstM |
|---|---|
| InChI | InChI=1S/C10H14O2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-7H2 |
| InChIKey | VACAECJKUOLGCG-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | As7GUIg72Rj |
|---|---|
| Name | 4,5,6,7,8,9-Hexahydrobenzo[b]oxepin-3-one |
| Alternate Name(s) | 4,5,6,7,8,9-hexahydro-1-benzoxepin-3(2H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-7H2 |
| InChIKey | VACAECJKUOLGCG-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C1=2OCC(CCC2CCCC1)=O |
| SPLASH | splash10-0pvi-3900000000-a3cc0a3b2ae9d9c2a5cf |
| Source of Spectrum | AJ-75-808-16 |
| Wiley ID | 1576997 |