| SpectraBase Compound ID | EUMrZMA5v9T |
|---|---|
| InChI | InChI=1S/C6H6O3/c7-5-1-2-6(8)9-4-3-5/h1-2H,3-4H2 |
| InChIKey | XEMBKBFJHOTOMM-UHFFFAOYSA-N |
| Mol Weight | 126.11 g/mol |
| Molecular Formula | C6H6O3 |
| Exact Mass | 126.031694 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AGbOWh9qoE8 |
|---|---|
| Name | 6,7-Dihydro-5-oxo-2(5H)-oxepinone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6O3 |
| InChI | InChI=1S/C6H6O3/c7-5-1-2-6(8)9-4-3-5/h1-2H,3-4H2 |
| InChIKey | XEMBKBFJHOTOMM-UHFFFAOYSA-N |
| Molecular Weight | 126.111 g/mol |
| SMILES | C1(OCCC(C=C1)=O)=O |
| SPLASH | splash10-0f6t-9100000000-95845b68cdb17fadeb36 |
| Source of Spectrum | H1-40-393-7 |
| Synonyms | 6,7-Dihydro-2,5-oxepindione |
| Wiley ID | 756890 |