| SpectraBase Compound ID | 1cVnX0HnMMg |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-6-15-23-19(21)12-7-8-13-20(22)24-16-14-18(4)11-9-10-17(2)3/h10,18H,5-9,11-16H2,1-4H3 |
| InChIKey | SRFXGQKZZOBJIX-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 | FMgxjk6j0xx |
|---|---|
| Name | Adipic acid, .beta.-citronellyl butyl 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/c1-5-6-15-23-19(21)12-7-8-13-20(22)24-16-14-18(4)11-9-10-17(2)3/h10,18H,5-9,11-16H2,1-4H3 |
| InChIKey | SRFXGQKZZOBJIX-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCC)=O |