| SpectraBase Compound ID | IXzSwY2dtNV |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-13(9-10-15-18(2,3)22-15)11-12-21-17(20)16(19)14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3 |
| InChIKey | WBNYKRGMBZYQBL-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DLyGV2QLuy |
|---|---|
| Name | 6',7'-Epoxy-3',7'-dimethyloctyl 2-cyclohexyl-2-oxoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-13(9-10-15-18(2,3)22-15)11-12-21-17(20)16(19)14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3 |
| InChIKey | WBNYKRGMBZYQBL-UHFFFAOYSA-N |
| SMILES | C1(OC1CCC(CCOC(C(=O)C1CCCCC1)=O)C)(C)C |