| SpectraBase Compound ID | AgGrBEwGjlU |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-12-18-25-21(23)16-13-17-22(24)26-19-20-14-10-9-11-15-20/h6-7,20H,2-5,8-19H2,1H3/b7-6+ |
| InChIKey | SHOKANVKEHDULA-VOTSOKGWSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lI53FNrL5s |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl dec-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-12-18-25-21(23)16-13-17-22(24)26-19-20-14-10-9-11-15-20/h6-7,20H,2-5,8-19H2,1H3/b7-6+ |
| InChIKey | SHOKANVKEHDULA-VOTSOKGWSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCCC\C=C\CCCCC)=O |