| SpectraBase Compound ID | 3AVkJGRVGiG |
|---|---|
| InChI | InChI=1S/C13H28O2/c1-5-7-9-11-14-13(3,4)15-12-10-8-6-2/h5-12H2,1-4H3 |
| InChIKey | NWYYISOYSZWERS-UHFFFAOYSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C13H28O2 |
| Exact Mass | 216.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGXHp1p8uCf |
|---|---|
| Name | Acetone, dipentyl acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.208930140 u |
| Formula | C13H28O2 |
| InChI | InChI=1S/C13H28O2/c1-5-7-9-11-14-13(3,4)15-12-10-8-6-2/h5-12H2,1-4H3 |
| InChIKey | NWYYISOYSZWERS-UHFFFAOYSA-N |
| Molecular Weight | 216.365 g/mol |
| SMILES | CC(OCCCCC)(C)OCCCCC |