| SpectraBase Compound ID | 32ewrIYxB5A |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-8-9-10-11-12-15-19(5)25-21(23)16-13-17-22(24)26-20(14-7-2)18(3)4/h18-20H,6-17H2,1-5H3 |
| InChIKey | BBGPIHQCTCXYEE-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 | AhkjRq6f2aA |
|---|---|
| Name | Glutaric acid, dec-2-yl 2-methylhex-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/c1-6-8-9-10-11-12-15-19(5)25-21(23)16-13-17-22(24)26-20(14-7-2)18(3)4/h18-20H,6-17H2,1-5H3 |
| InChIKey | BBGPIHQCTCXYEE-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OC(C(C)C)CCC)=O |