| SpectraBase Compound ID | 4wofSarBWEw |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-3-18-14(16)10-6-7-11-15(17)19-13-9-5-4-8-12(13)2/h12-13H,3-11H2,1-2H3 |
| InChIKey | PWRIZDNEHHDYLB-UHFFFAOYSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6EN7fjzO9j |
|---|---|
| Name | Adipic acid, ethyl trans-2-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.183109313 u |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-3-18-14(16)10-6-7-11-15(17)19-13-9-5-4-8-12(13)2/h12-13H,3-11H2,1-2H3 |
| InChIKey | PWRIZDNEHHDYLB-UHFFFAOYSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(=O)(CCCCC(OCC)=O)OC1C(C)CCCC1 |