| SpectraBase Compound ID | FpVXVm5VZPT |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-3-10(2)6-11-4-5-13-14(7-11)17-9-12(15)8-16-13/h4-5,7,10H,3,6,8-9H2,1-2H3 |
| InChIKey | IALLGZHDBYADNH-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D4TU8KgT15c |
|---|---|
| Name | 7-(2-Methylbutyl)-1,5-benzodioxepin-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-3-10(2)6-11-4-5-13-14(7-11)17-9-12(15)8-16-13/h4-5,7,10H,3,6,8-9H2,1-2H3 |
| InChIKey | IALLGZHDBYADNH-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | c12OCC(COc2ccc(c1)CC(CC)C)=O |
| SPLASH | splash10-004i-1920000000-812c6becce8d90bb1c65 |
| Source of Spectrum | K1-2003-3740-15 |
| Wiley ID | 1521538 |