| SpectraBase Compound ID | FPbMRtuqsA3 |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-7-3-2-4-9-10(7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3 |
| InChIKey | CQPJGBKIBUNCGN-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BOG68apDsiH |
|---|---|
| Name | 6-Methyl-1,5-benzodioxepin-3-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-7-3-2-4-9-10(7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3 |
| InChIKey | CQPJGBKIBUNCGN-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1Oc2c(OCC1=O)c(ccc2)C |
| SPLASH | splash10-00ou-9500000000-4cf2bfd630d9c442f4e4 |
| Source of Spectrum | H-90-1259-9 |
| Wiley ID | 1590751 |