| SpectraBase Compound ID | 7XHfjciBSHl |
|---|---|
| InChI | InChI=1S/C9H8O3/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4H,5-6H2 |
| InChIKey | OPNDWUNGMWNXNB-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ci4DRVAmllm |
|---|---|
| Name | 2H-1,5-Benzodioxepin-3(4H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4H,5-6H2 |
| InChIKey | OPNDWUNGMWNXNB-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C1Oc2c(OCC1=O)cccc2 |
| SPLASH | splash10-03e9-8900000000-fb66ad2333320f6084a9 |
| Source of Spectrum | H-90-1022-14 |
| Synonyms | 1,5-benzodioxepin-3-one |
| Wiley ID | 1590704 |