| SpectraBase Compound ID | 23YIbKmCN1B |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-19-15(18)9-6-4-2-3-5-8-14(17)10-11-16-20-12-7-13-21-16/h16H,2-13H2,1H3 |
| InChIKey | GCRLYMVHVYWDMM-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C16H28O5 |
| Exact Mass | 300.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZFqPOAnVbg |
|---|---|
| Name | Methyl 9-oxo-11-(1,3-dioxan-2-yl)undecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.193673997 u |
| Formula | C16H28O5 |
| InChI | InChI=1S/C16H28O5/c1-19-15(18)9-6-4-2-3-5-8-14(17)10-11-16-20-12-7-13-21-16/h16H,2-13H2,1H3 |
| InChIKey | GCRLYMVHVYWDMM-UHFFFAOYSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | C(CCCCCCCC(CCC1OCCCO1)=O)(=O)OC |