| SpectraBase Compound ID | HTlHqEyvvJk |
|---|---|
| InChI | InChI=1S/C16H24O5/c17-11-7-5-3-1-2-4-6-8-12(18)15-13(19)9-10-14(20)16(15)21/h11,14,19-20H,1-10H2 |
| InChIKey | MLLSKXUUHZXTNC-UHFFFAOYSA-N |
| Mol Weight | 296.36 g/mol |
| Molecular Formula | C16H24O5 |
| Exact Mass | 296.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GIg1tGHZaR7 |
|---|---|
| Name | 3,6-Dihydroxy-2-(1',10'-dioxodecyl)-cyclohex-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.162373868 u |
| Formula | C16H24O5 |
| InChI | InChI=1S/C16H24O5/c17-11-7-5-3-1-2-4-6-8-12(18)15-13(19)9-10-14(20)16(15)21/h11,14,19-20H,1-10H2 |
| InChIKey | MLLSKXUUHZXTNC-UHFFFAOYSA-N |
| SMILES | C=1(C(C(O)CCC1O)=O)C(=O)CCCCCCCCC=O |