| SpectraBase Compound ID | 5QMs8yzwKpn |
|---|---|
| InChI | InChI=1S/C7H12O4/c1-6(8)11-5-3-4-7(9)10-2/h3-5H2,1-2H3 |
| InChIKey | WLAKXJVBZHPARL-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 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 | EHq0ZKwkLhJ |
|---|---|
| Name | 4-Acetoxybutyric acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.073558862 u |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c1-6(8)11-5-3-4-7(9)10-2/h3-5H2,1-2H3 |
| InChIKey | WLAKXJVBZHPARL-UHFFFAOYSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | C(CCCOC(=O)C)(=O)OC |