| SpectraBase Compound ID | 6gWc1CS4eUv |
|---|---|
| InChI | InChI=1S/C14H20O4/c15-11-7-3-1-4-8-12(16)14(18)10-6-2-5-9-13(11)17/h1-10H2 |
| InChIKey | NOKFSAOIXCJORA-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6OkX8WaqhDY |
|---|---|
| Name | 1,2,8,9-Cyclotetradecanetetrone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c15-11-7-3-1-4-8-12(16)14(18)10-6-2-5-9-13(11)17/h1-10H2 |
| InChIKey | NOKFSAOIXCJORA-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C1(C(=O)CCCCCC(C(CCCCC1)=O)=O)=O |