| SpectraBase Compound ID | Kn0KWps3I80 |
|---|---|
| InChI | InChI=1S/C13H26O3/c1-4-7-9-12(6-3)11-16-13(14)15-10-8-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | DGCRQNVSIHHFIC-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 | 1yzAEorTsyZ |
|---|---|
| Name | Carbonic acid, butyl 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/c1-4-7-9-12(6-3)11-16-13(14)15-10-8-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | DGCRQNVSIHHFIC-UHFFFAOYSA-N |
| Molecular Weight | 230.348 g/mol |
| SMILES | C(C)CCOC(=O)OCC(CC)CCCC |