| SpectraBase Compound ID | 1V3APCX1HPw |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-5-6-8(7(2)10)9(11)12-3/h8H,4-6H2,1-3H3 |
| InChIKey | PYYFKCZKDCTZBH-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3zSF5s2iOMg |
|---|---|
| Name | Hexanoic acid, 2-acetyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-5-6-8(7(2)10)9(11)12-3/h8H,4-6H2,1-3H3 |
| InChIKey | PYYFKCZKDCTZBH-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | CCCCC(C(C)=O)C(OC)=O |