| SpectraBase Compound ID | 339fouhFSLe |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | OCAIYHCKLADPEG-UHFFFAOYSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bSDTDzpfkZ |
|---|---|
| Name | Valeric acid, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | OCAIYHCKLADPEG-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | CCCCC(OC(C)C)=O |