| SpectraBase Compound ID | DOKavtQPhD7 |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-3-5-8-11-19-15(17)13-10-7-6-9-12(13)14(16)18-4-2/h12-13H,3-11H2,1-2H3 |
| InChIKey | PCPOYRXAOUSZIA-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 | 57gEkAuNw10 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl pentyl 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/c1-3-5-8-11-19-15(17)13-10-7-6-9-12(13)14(16)18-4-2/h12-13H,3-11H2,1-2H3 |
| InChIKey | PCPOYRXAOUSZIA-UHFFFAOYSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(C1CCCCC1C(OCC)=O)(=O)OCCCCC |