| SpectraBase Compound ID | 5aLeG2URCif |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-3-5-7-8-9-10-14-18-24-20(22)16-12-11-15-19(21)23-17-13-6-4-2/h3-18H2,1-2H3 |
| InChIKey | NPSPAIXUVSYIFR-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 | A7Z0KZWhH07 |
|---|---|
| Name | Adipic acid, nonyl pentyl 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/c1-3-5-7-8-9-10-14-18-24-20(22)16-12-11-15-19(21)23-17-13-6-4-2/h3-18H2,1-2H3 |
| InChIKey | NPSPAIXUVSYIFR-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCCCOC(CCCCC(=O)OCCCCC)=O)CCCC |