| SpectraBase Compound ID | FqZwsqaZqTA |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h11-13H,4-10H2,1-3H3 |
| InChIKey | SZAJLQTUDWVUSQ-UHFFFAOYSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaPoEXpxUQb |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isobutyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.183109313 u |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h11-13H,4-10H2,1-3H3 |
| InChIKey | SZAJLQTUDWVUSQ-UHFFFAOYSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C1(CCCCC1C(OCCC)=O)C(=O)OCC(C)C |