| SpectraBase Compound ID | 5EU2vZxB3yG |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-5(2)7(6(3)9)8(10)11-4/h5,7H,1-4H3 |
| InChIKey | DWMUXGFADNZQQV-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GMocKu88Zuu |
|---|---|
| Name | Butanoic acid, 2-acetyl-3-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-5(2)7(6(3)9)8(10)11-4/h5,7H,1-4H3 |
| InChIKey | DWMUXGFADNZQQV-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(C(C(C)C)C(C)=O)(OC)=O |