![6-(Benzo[D][1,3]dioxol-5-yl)hex-3-en-2-one](/api/spectrum/G5Mu1hZK4MS/structure.png?h=300&w=458 "6-(Benzo[D][1,3]dioxol-5-yl)hex-3-en-2-one")
| SpectraBase Compound ID | BKGQmDRLAxq |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-10(14)4-2-3-5-11-6-7-12-13(8-11)16-9-15-12/h2,4,6-8H,3,5,9H2,1H3/b4-2+ |
| InChIKey | WBTCWBZQKZZDOV-DUXPYHPUSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5Mu1hZK4MS |
|---|---|
| Name | 6-(Benzo[D][1,3]dioxol-5-yl)hex-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c1-10(14)4-2-3-5-11-6-7-12-13(8-11)16-9-15-12/h2,4,6-8H,3,5,9H2,1H3/b4-2+ |
| InChIKey | WBTCWBZQKZZDOV-DUXPYHPUSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | CC(\C=C\CCC1=CC2=C(OCO2)C=C1)=O |