| SpectraBase Compound ID | 75R2AGSmJhC |
|---|---|
| InChI | InChI=1S/C14H24O5/c1-4-17-13(16)9-11(15)7-5-6-8-12-10-18-14(2,3)19-12/h12H,4-10H2,1-3H3/t12-/m0/s1 |
| InChIKey | YZSAUCLWGCZSLN-LBPRGKRZSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C14H24O5 |
| Exact Mass | 272.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmxDVRFvn4E |
|---|---|
| Name | 1,3-Dioxolane-4-heptanoic acid, 2,2-dimethyl-.beta.-oxo-, ethyl ester, (S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.162373868 u |
| Formula | C14H24O5 |
| InChI | InChI=1S/C14H24O5/c1-4-17-13(16)9-11(15)7-5-6-8-12-10-18-14(2,3)19-12/h12H,4-10H2,1-3H3/t12-/m0/s1 |
| InChIKey | YZSAUCLWGCZSLN-LBPRGKRZSA-N |
| Molecular Weight | 272.341 g/mol |
| SMILES | C1(O[C@@](CCCCC(CC(=O)OCC)=O)(CO1)[H])(C)C |