| SpectraBase Compound ID | 325mg3Ct5U1 |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-18(2)9-7-10-19(3)15-16-25-21(23)13-8-14-22(24)26-17-20-11-5-4-6-12-20/h18-20H,4-17H2,1-3H3 |
| InChIKey | PYFZESWVFVUFFK-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 | FJ8bO5Zq8oI |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 3,7-dimethyloctyl 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/c1-18(2)9-7-10-19(3)15-16-25-21(23)13-8-14-22(24)26-17-20-11-5-4-6-12-20/h18-20H,4-17H2,1-3H3 |
| InChIKey | PYFZESWVFVUFFK-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCCC(CCCC(C)C)C)=O |