| SpectraBase Compound ID | CUgcAydgt1t |
|---|---|
| InChI | InChI=1S/C10H22O2/c1-5-10(11-6-2)12-8-7-9(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | WMLCXIOXLJBRRH-UHFFFAOYSA-N |
| Mol Weight | 174.28 g/mol |
| Molecular Formula | C10H22O2 |
| Exact Mass | 174.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Koh6H7Re0Xz |
|---|---|
| Name | Propanal ethyl isopentyl acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.161979946 u |
| Formula | C10H22O2 |
| InChI | InChI=1S/C10H22O2/c1-5-10(11-6-2)12-8-7-9(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | WMLCXIOXLJBRRH-UHFFFAOYSA-N |
| Molecular Weight | 174.284 g/mol |
| SMILES | C(CC)(OCCC(C)C)OCC |