| SpectraBase Compound ID | 7NaC59zj4Qd |
|---|---|
| InChI | InChI=1S/C16H26O3/c1-3-4-6-11-16(19-13(2)17)15(18)12-14-9-7-5-8-10-14/h12,16H,3-11H2,1-2H3 |
| InChIKey | RPKRNJULTMPQHC-UHFFFAOYSA-N |
| Mol Weight | 266.38 g/mol |
| Molecular Formula | C16H26O3 |
| Exact Mass | 266.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fa16M5JXydu |
|---|---|
| Name | (1-Cyclohexylidene-2-oxidanylidene-octan-3-yl) ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.188194694 u |
| Formula | C16H26O3 |
| InChI | InChI=1S/C16H26O3/c1-3-4-6-11-16(19-13(2)17)15(18)12-14-9-7-5-8-10-14/h12,16H,3-11H2,1-2H3 |
| InChIKey | RPKRNJULTMPQHC-UHFFFAOYSA-N |
| Molecular Weight | 266.381 g/mol |
| SMILES | C(C(C(CCCCC)OC(=O)C)=O)=C1CCCCC1 |