| SpectraBase Compound ID | 8Fy9cIFYPo1 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-14(11(3)4)20-16(18)13-10-8-7-9-12(13)15(17)19-6-2/h11-14H,5-10H2,1-4H3 |
| InChIKey | JVKQKYQRWMWNTO-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4X64QpJ39IV |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-14(11(3)4)20-16(18)13-10-8-7-9-12(13)15(17)19-6-2/h11-14H,5-10H2,1-4H3 |
| InChIKey | JVKQKYQRWMWNTO-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1C(OCC)=O)(=O)OC(C(C)C)CC |