| SpectraBase Compound ID | JCmgagK0BHy |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-5-6-7-8-9-14-22-17(20)19(3,4)18(21)23-16-12-10-15(2)11-13-16/h15-16H,5-14H2,1-4H3 |
| InChIKey | FIJNKZQKLJVWSE-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90tXdk07gbm |
|---|---|
| Name | Dimethylmalonic acid, cis-4-methylcyclohexyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-5-6-7-8-9-14-22-17(20)19(3,4)18(21)23-16-12-10-15(2)11-13-16/h15-16H,5-14H2,1-4H3 |
| InChIKey | FIJNKZQKLJVWSE-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C1C(CCC(C1)OC(C(C(OCCCCCCC)=O)(C)C)=O)C |