| SpectraBase Compound ID | 1Sp3TWAWtyM |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-9(12)8-11(2,3)14-10-6-4-5-7-13-10/h10H,4-8H2,1-3H3 |
| InChIKey | UGCJZXMZVGOCRT-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 | 9IiiGHQ9MFy |
|---|---|
| Name | 4-Methyl-4-(2-oxanyloxy)-2-pentanone |
| 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/c1-9(12)8-11(2,3)14-10-6-4-5-7-13-10/h10H,4-8H2,1-3H3 |
| InChIKey | UGCJZXMZVGOCRT-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C(CC(=O)C)(OC1OCCCC1)(C)C |