| SpectraBase Compound ID | 5pSj2trcsmj |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-2-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-14-8-4-3-5-9-14/h14-16H,2-13H2,1H3 |
| InChIKey | FODSRIAMLAYYEF-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSbqPwmkAeN |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-2-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-14-8-4-3-5-9-14/h14-16H,2-13H2,1H3 |
| InChIKey | FODSRIAMLAYYEF-UHFFFAOYSA-N |
| SMILES | CCCOC(C1C(C(=O)OCC2CCCCC2)CCCC1)=O |