| SpectraBase Compound ID | 3CbpkPubMPJ |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-4-6-7-12-10(11)13-8-9(3)5-2/h9H,4-8H2,1-3H3 |
| InChIKey | XIHWIVXNDSHASZ-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoN8omjx52o |
|---|---|
| Name | Carbonic acid, butyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.141244501 u |
| Formula | C10H20O3 |
| InChI | InChI=1S/C10H20O3/c1-4-6-7-12-10(11)13-8-9(3)5-2/h9H,4-8H2,1-3H3 |
| InChIKey | XIHWIVXNDSHASZ-UHFFFAOYSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | C(OCCCC)(=O)OCC(CC)C |