| SpectraBase Compound ID | IiRq3r5xfsm |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-2-3-4-5-6-12-7-8-14-15(9-12)18-11-13(16)10-17-14/h7-9H,2-6,10-11H2,1H3 |
| InChIKey | VTIJTUYNPUHXBY-UHFFFAOYSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9w7NR7ele01 |
|---|---|
| Name | 7-Hexyl-1,5-benzodioxepin-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-2-3-4-5-6-12-7-8-14-15(9-12)18-11-13(16)10-17-14/h7-9H,2-6,10-11H2,1H3 |
| InChIKey | VTIJTUYNPUHXBY-UHFFFAOYSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | c12OCC(COc2ccc(c1)CCCCCC)=O |
| SPLASH | splash10-004j-1930000000-67dcebf5021f6b55e73a |
| Source of Spectrum | K1-2003-3741-21 |
| Wiley ID | 1521532 |