| SpectraBase Compound ID | I3uPGGGd2Bn |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-13(2)12-20-16(18)10-6-7-11-17(19)21-15-9-5-4-8-14(15)3/h13-15H,4-12H2,1-3H3 |
| InChIKey | ILRWSBADFQBCLM-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JDXC7jcQDMr |
|---|---|
| Name | Adipic acid, isobutyl trans-2-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-13(2)12-20-16(18)10-6-7-11-17(19)21-15-9-5-4-8-14(15)3/h13-15H,4-12H2,1-3H3 |
| InChIKey | ILRWSBADFQBCLM-UHFFFAOYSA-N |
| SMILES | C1(C(CCCC1)OC(=O)CCCCC(OCC(C)C)=O)C |