| SpectraBase Compound ID | 94OE9rXp0J0 |
|---|---|
| InChI | InChI=1S/C14H16O3/c15-11-8-16-13-7-3-6-12(14(13)17-9-11)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2 |
| InChIKey | BDCYJLJZRANGNS-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3I3sXo12AhE |
|---|---|
| Name | 6-cyclopentyl-1,5-benzodioxepin-3-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c15-11-8-16-13-7-3-6-12(14(13)17-9-11)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2 |
| InChIKey | BDCYJLJZRANGNS-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C1Oc2c(OCC1=O)c(ccc2)C1CCCC1 |
| SPLASH | splash10-001i-8970000000-ede8a67f2d6e40d20b5f |
| Source of Spectrum | H-90-1261-9 |
| Wiley ID | 1590738 |