| SpectraBase Compound ID | 3OBI0qQ7jXK |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-2-3-9-4-5-11-12(6-9)15-8-10(13)7-14-11/h4-6H,2-3,7-8H2,1H3 |
| InChIKey | KQPGRKHBHURUAP-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 | 3tRtoIs5RB3 |
|---|---|
| Name | 7-Propyl-1,5-benzodioxepin-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-2-3-9-4-5-11-12(6-9)15-8-10(13)7-14-11/h4-6H,2-3,7-8H2,1H3 |
| InChIKey | KQPGRKHBHURUAP-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C1Oc2c(OCC1=O)cc(cc2)CCC |
| SPLASH | splash10-004i-4930000000-9e0c56d312bcf01792cb |
| Source of Spectrum | H-90-1260-9 |
| Wiley ID | 1590747 |