| SpectraBase Compound ID | AFNXMQ4Sf60 |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-2-4-9-5-3-6-11-12(9)15-8-10(13)7-14-11/h3,5-6H,2,4,7-8H2,1H3 |
| InChIKey | GAALGORHZIQICS-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5JE0AUH3hUN |
|---|---|
| Name | 6-Propyl-1,5-benzodioxepin-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-2-4-9-5-3-6-11-12(9)15-8-10(13)7-14-11/h3,5-6H,2,4,7-8H2,1H3 |
| InChIKey | GAALGORHZIQICS-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C1Oc2c(OCC1=O)c(ccc2)CCC |
| SPLASH | splash10-056s-9820000000-9b81deacf4f8e5ce66ed |
| Source of Spectrum | H-90-1260-9 |
| Wiley ID | 1590746 |