| SpectraBase Compound ID | KAMzLHxPfdT |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-13(2)11-20-15(17)7-5-6-8-16(18)21-12-14(3)9-10-19-4/h13-14H,5-12H2,1-4H3 |
| InChIKey | SZHIIRQOAZHNFM-UHFFFAOYSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C16H30O5 |
| Exact Mass | 302.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pbQabAtvlq |
|---|---|
| Name | Adipic acid, isobutyl 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.209324061 u |
| Formula | C16H30O5 |
| InChI | InChI=1S/C16H30O5/c1-13(2)11-20-15(17)7-5-6-8-16(18)21-12-14(3)9-10-19-4/h13-14H,5-12H2,1-4H3 |
| InChIKey | SZHIIRQOAZHNFM-UHFFFAOYSA-N |
| SMILES | C(C(=O)OCC(CCOC)C)CCCC(OCC(C)C)=O |