| SpectraBase Compound ID | EKURaefbOTx |
|---|---|
| InChI | InChI=1S/C13H26O3/c1-5-7-8-12(6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | NPSPGHZMMKOHJM-UHFFFAOYSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C13H26O3 |
| Exact Mass | 230.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0thWtzkTEt |
|---|---|
| Name | Carbonic acid, isobutyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.188194694 u |
| Formula | C13H26O3 |
| InChI | InChI=1S/C13H26O3/c1-5-7-8-12(6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | NPSPGHZMMKOHJM-UHFFFAOYSA-N |
| Molecular Weight | 230.348 g/mol |
| SMILES | CC(COC(=O)OCC(CC)CCCC)C |