| SpectraBase Compound ID | 8nfgZmxrGzq |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-4-17-13(15)11-7-5-6-8-12(11)14(16)18-9-10(2)3/h10-12H,4-9H2,1-3H3 |
| InChIKey | QJUFFMQQPBZLBA-UHFFFAOYSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64nIHizomv5 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-4-17-13(15)11-7-5-6-8-12(11)14(16)18-9-10(2)3/h10-12H,4-9H2,1-3H3 |
| InChIKey | QJUFFMQQPBZLBA-UHFFFAOYSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | CC(COC(C1CCCCC1C(OCC)=O)=O)C |