| SpectraBase Compound ID | 5occHRooI0c |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-11(13(3)16)8-10-14(4,5)9-6-7-12(2)15/h11H,6-10H2,1-5H3 |
| InChIKey | TUXHZQYJMAFTJW-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6hhaqm3Bx0p |
|---|---|
| Name | 2,10-Undecanedione, 3,6,6-trimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-11(13(3)16)8-10-14(4,5)9-6-7-12(2)15/h11H,6-10H2,1-5H3 |
| InChIKey | TUXHZQYJMAFTJW-UHFFFAOYSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | C(=O)(C(CCC(CCCC(=O)C)(C)C)C)C |