| SpectraBase Compound ID | 110mrjdd5X7 |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-13(2)9-8-12-22-18(20)16-10-6-7-11-17(16)19(21)23-15(5)14(3)4/h13-17H,6-12H2,1-5H3 |
| InChIKey | WMVCZLYJRCESGN-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 | kJc8oLZ7Nq |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylbut-2-yl 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/c1-13(2)9-8-12-22-18(20)16-10-6-7-11-17(16)19(21)23-15(5)14(3)4/h13-17H,6-12H2,1-5H3 |
| InChIKey | WMVCZLYJRCESGN-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | CC(C)CCCOC(C1C(C(=O)OC(C(C)C)C)CCCC1)=O |