| SpectraBase Compound ID | GUS767saqFt |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-6-10-17(11-7-2)15-23-19(21)13-9-14-20(22)24-18(12-8-3)16(4)5/h16-18H,6-15H2,1-5H3 |
| InChIKey | IWGMBUQQZRACEC-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XZE9UhUFCY |
|---|---|
| Name | Glutaric acid, 2-methylhex-3-yl 2-propylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-6-10-17(11-7-2)15-23-19(21)13-9-14-20(22)24-18(12-8-3)16(4)5/h16-18H,6-15H2,1-5H3 |
| InChIKey | IWGMBUQQZRACEC-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(OCC(CCC)CCC)(=O)CCCC(OC(CCC)C(C)C)=O |