| SpectraBase Compound ID | Adi7x5wz8pn |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-16(2)9-8-10-18(5)13-14-23-19(21)11-6-7-12-20(22)24-15-17(3)4/h9,17-18H,6-8,10-15H2,1-5H3 |
| InChIKey | PUYZMUIRNVXGCD-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3JhFx7NtXj |
|---|---|
| Name | Adipic acid, .beta.-citronellyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-16(2)9-8-10-18(5)13-14-23-19(21)11-6-7-12-20(22)24-15-17(3)4/h9,17-18H,6-8,10-15H2,1-5H3 |
| InChIKey | PUYZMUIRNVXGCD-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCC(C)C)=O |