| SpectraBase Compound ID | 4p5lRDpFBAz |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-4-5-6-7-8(10)9(11-2)12-3/h9H,4-7H2,1-3H3 |
| InChIKey | YQNNOPOAGGDSFU-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3L9y1uEJBq1 |
|---|---|
| Name | 1,1-Dimethoxyheptan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-4-5-6-7-8(10)9(11-2)12-3/h9H,4-7H2,1-3H3 |
| InChIKey | YQNNOPOAGGDSFU-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | COC(C(=O)CCCCC)OC |