| SpectraBase Compound ID | BXQ5XcVokvh |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-5-14(4)10-11-19-15(17)8-6-7-9-16(18)20-12-13(2)3/h13-14H,5-12H2,1-4H3 |
| InChIKey | KIDCMXHMQSQCOT-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFAB1CzkwxU |
|---|---|
| Name | Adipic acid, isobutyl 3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-5-14(4)10-11-19-15(17)8-6-7-9-16(18)20-12-13(2)3/h13-14H,5-12H2,1-4H3 |
| InChIKey | KIDCMXHMQSQCOT-UHFFFAOYSA-N |
| SMILES | C(C(OCCC(C)CC)=O)CCCC(OCC(C)C)=O |