| SpectraBase Compound ID | D4wvVrGMwoj |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-6-7-8-12-17(2)25-20(23)15-11-16-21(24)26-19-14-10-9-13-18(19)22(3,4)5/h17-19H,6-16H2,1-5H3 |
| InChIKey | PROVUWDMANCXGS-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UE0pROgg35 |
|---|---|
| Name | Glutaric acid, hept-2-yl 2-tert-butylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-6-7-8-12-17(2)25-20(23)15-11-16-21(24)26-19-14-10-9-13-18(19)22(3,4)5/h17-19H,6-16H2,1-5H3 |
| InChIKey | PROVUWDMANCXGS-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1C(CCCC1)C(C)(C)C)=O |