![3-Benzo[h][1,5]benzodioxepinone](/api/spectrum/D9C9IaNZJCe/structure.png?h=300&w=458 "3-Benzo[h][1,5]benzodioxepinone")
| SpectraBase Compound ID | BxEzlIZJTLq |
|---|---|
| InChI | InChI=1S/C13H10O3/c14-11-7-15-12-5-9-3-1-2-4-10(9)6-13(12)16-8-11/h1-6H,7-8H2 |
| InChIKey | LULINCQYMZAICU-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C13H10O3 |
| Exact Mass | 214.062994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D9C9IaNZJCe |
|---|---|
| Name | 3-Benzo[h][1,5]benzodioxepinone |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10O3 |
| InChI | InChI=1S/C13H10O3/c14-11-7-15-12-5-9-3-1-2-4-10(9)6-13(12)16-8-11/h1-6H,7-8H2 |
| InChIKey | LULINCQYMZAICU-UHFFFAOYSA-N |
| Molecular Weight | 214.220 g/mol |
| SMILES | c12c(OCC(CO2)=O)cc2c(c1)cccc2 |
| SPLASH | splash10-0ik9-3950000000-7d188fda8a4ede73e831 |
| Source of Spectrum | H-90-1026-18 |
| Synonyms | benzo[h][1,5]benzodioxepin-3-one |
| Wiley ID | 1590699 |