| SpectraBase Compound ID | 3rpKE29drvF |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-10-17(11-6-2)23-19(21)14-8-7-13-18(20)22-15-9-12-16(3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | GDVUEXYGJPWZQK-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0zRsXfNxoF |
|---|---|
| Name | Adipic acid, 4-heptyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-5-10-17(11-6-2)23-19(21)14-8-7-13-18(20)22-15-9-12-16(3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | GDVUEXYGJPWZQK-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCC(OC(CCC)CCC)=O)CC(OCCCC(C)C)=O |