| SpectraBase Compound ID | G5sLCOMRh63 |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-3-4-5-8-11-21-16(18)14-9-6-7-10-15(14)17(19)22-13-12-20-2/h14-15H,3-13H2,1-2H3 |
| InChIKey | ATAQZNKQFNFBLW-UHFFFAOYSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ect3vnTuQXq |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, hexyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.209324061 u |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c1-3-4-5-8-11-21-16(18)14-9-6-7-10-15(14)17(19)22-13-12-20-2/h14-15H,3-13H2,1-2H3 |
| InChIKey | ATAQZNKQFNFBLW-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1C(OCCCCCC)=O)(=O)OCCOC |