| SpectraBase Compound ID | BXppQvUIdcK |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-13(2)7-6-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-11-20-3/h13-15H,4-12H2,1-3H3 |
| InChIKey | ZFUVEGUFOGCMEN-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 | EeynjbNJonL |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isohexyl 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/c1-13(2)7-6-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-11-20-3/h13-15H,4-12H2,1-3H3 |
| InChIKey | ZFUVEGUFOGCMEN-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1C(OCCCC(C)C)=O)(=O)OCCOC |