| SpectraBase Compound ID | 75Z20tQfgEs |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-16(2)10-7-12-18(5)24-20(22)14-9-15-21(23)25-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3 |
| InChIKey | VECQLNNGQRPGQM-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5myQi1mUh63 |
|---|---|
| Name | Glutaric acid, di(6-methylhept-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-16(2)10-7-12-18(5)24-20(22)14-9-15-21(23)25-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3 |
| InChIKey | VECQLNNGQRPGQM-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(OC(CCCC(C)C)C)(=O)CCCC(OC(C)CCCC(C)C)=O |