| SpectraBase Compound ID | eTgeyA076E |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-2-10(12)6-3-4-7-11-13-8-5-9-14-11/h11H,2-9H2,1H3 |
| InChIKey | XQHRFOXMIYJXEG-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Oz5r3Bjlmb |
|---|---|
| Name | 7-(1,3-Dioxan-2-yl)-3-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-2-10(12)6-3-4-7-11-13-8-5-9-14-11/h11H,2-9H2,1H3 |
| InChIKey | XQHRFOXMIYJXEG-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C1COC(CCCCC(CC)=O)OC1 |