| SpectraBase Compound ID | 5hWZltnkgJh |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-13-17-25-20(23)15-14-16-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3 |
| InChIKey | KHNRWEVWQDVELQ-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bbx23QSMopM |
|---|---|
| Name | Glutaric acid, decyl 2,4-dimethylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-13-17-25-20(23)15-14-16-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3 |
| InChIKey | KHNRWEVWQDVELQ-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | CC(C(OC(CCCC(OCCCCCCCCCC)=O)=O)C(C)C)C |