| SpectraBase Compound ID | 8oskSc7hQzE |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-13(2)8-7-11-21-17(19)15-9-5-6-10-16(15)18(20)22-12-14(3)4/h13-16H,5-12H2,1-4H3 |
| InChIKey | ANEWXIISWUKCHF-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85KoKqJkNNO |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isobutyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-13(2)8-7-11-21-17(19)15-9-5-6-10-16(15)18(20)22-12-14(3)4/h13-16H,5-12H2,1-4H3 |
| InChIKey | ANEWXIISWUKCHF-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C1(CCCCC1C(OCCCC(C)C)=O)C(=O)OCC(C)C |