| SpectraBase Compound ID | 2K3oM61JUV5 |
|---|---|
| InChI | InChI=1S/C17H32O5/c1-14(2)13-22-17(19)8-6-5-7-16(18)21-12-10-15(3)9-11-20-4/h14-15H,5-13H2,1-4H3 |
| InChIKey | MZUARFQQKPMCDS-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C17H32O5 |
| Exact Mass | 316.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JlABVHjxCep |
|---|---|
| Name | Adipic acid, isobutyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.224974125 u |
| Formula | C17H32O5 |
| InChI | InChI=1S/C17H32O5/c1-14(2)13-22-17(19)8-6-5-7-16(18)21-12-10-15(3)9-11-20-4/h14-15H,5-13H2,1-4H3 |
| InChIKey | MZUARFQQKPMCDS-UHFFFAOYSA-N |
| Molecular Weight | 316.438 g/mol |
| SMILES | C(CC(=O)OCCC(C)CCOC)CCC(OCC(C)C)=O |