| SpectraBase Compound ID | LhNLdryUMso |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-16(2)8-7-13-23-18(20)9-5-6-10-19(21)24-15-12-17(3)11-14-22-4/h16-17H,5-15H2,1-4H3 |
| InChIKey | OIUPDBURXZAASY-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hCGrPBTz3U |
|---|---|
| Name | Adipic acid, isohexyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-16(2)8-7-13-23-18(20)9-5-6-10-19(21)24-15-12-17(3)11-14-22-4/h16-17H,5-15H2,1-4H3 |
| InChIKey | OIUPDBURXZAASY-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(C(=O)OCCC(CCOC)C)CCCC(OCCCC(C)C)=O |