| SpectraBase Compound ID | 1pTlaNF6jQI |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-18(2)10-8-12-20(5)15-17-26-22(24)14-7-6-13-21(23)25-16-9-11-19(3)4/h10,19-20H,6-9,11-17H2,1-5H3 |
| InChIKey | WKQAMVXEHVRFKC-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjP9T8fRMHI |
|---|---|
| Name | Adipic acid, .beta.-citronellyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-18(2)10-8-12-20(5)15-17-26-22(24)14-7-6-13-21(23)25-16-9-11-19(3)4/h10,19-20H,6-9,11-17H2,1-5H3 |
| InChIKey | WKQAMVXEHVRFKC-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCC(C)C)=O |