| SpectraBase Compound ID | JNhLl9DkAZ |
|---|---|
| InChI | InChI=1S/C11H20O7/c1-2-16-5-6-18-8-7-17-4-3-9(10(12)13)11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15) |
| InChIKey | JIKGKGXHUDETNF-UHFFFAOYSA-N |
| Mol Weight | 264.27 g/mol |
| Molecular Formula | C11H20O7 |
| Exact Mass | 264.120903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fs4rI5nQXfe |
|---|---|
| Name | 2-(3,6,9-Trioxaundecyl)malonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.120902977 u |
| Formula | C11H20O7 |
| InChI | InChI=1S/C11H20O7/c1-2-16-5-6-18-8-7-17-4-3-9(10(12)13)11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15) |
| InChIKey | JIKGKGXHUDETNF-UHFFFAOYSA-N |
| Molecular Weight | 264.274 g/mol |
| SMILES | C(C(=O)O)(C(=O)O)CCOCCOCCOCC |