| SpectraBase Compound ID | LqIIDt4FpIA |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-9(2)5-7-13-11(12)14-8-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | DWWPOAYNAWHBKI-UHFFFAOYSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DolFwacAu6d |
|---|---|
| Name | 1-Butanol, 3-methyl-, carbonate (2:1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-9(2)5-7-13-11(12)14-8-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | DWWPOAYNAWHBKI-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C(=O)(OCCC(C)C)OCCC(C)C |