| SpectraBase Compound ID | 31A8bSVSPCA |
|---|---|
| InChI | InChI=1S/C18H30O3/c1-2-13-18(16(20)11-10-12-17(18)21)14-8-6-4-3-5-7-9-15-19/h2,19H,1,3-15H2 |
| InChIKey | ZDVFVMJEVOUSFD-UHFFFAOYSA-N |
| Mol Weight | 294.44 g/mol |
| Molecular Formula | C18H30O3 |
| Exact Mass | 294.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HB8ATQETmo |
|---|---|
| Name | 2-Allyl-2-(9-hydroxynonyl)cyclohexane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.219494823 u |
| Formula | C18H30O3 |
| InChI | InChI=1S/C18H30O3/c1-2-13-18(16(20)11-10-12-17(18)21)14-8-6-4-3-5-7-9-15-19/h2,19H,1,3-15H2 |
| InChIKey | ZDVFVMJEVOUSFD-UHFFFAOYSA-N |
| SMILES | C1(C(=O)CCCC1=O)(CC=C)CCCCCCCCCO |