| SpectraBase Compound ID | Kv5YAlGh73Q |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-6(2)7(3)5-8(9)10-4/h6-7H,5H2,1-4H3/t7-/m0/s1 |
| InChIKey | CBWIMEHUUHLBJB-ZETCQYMHSA-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 | BDt5WfVs9FS |
|---|---|
| Name | Methyl 3,4-dimethylpentanoate |
| 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/c1-6(2)7(3)5-8(9)10-4/h6-7H,5H2,1-4H3/t7-/m0/s1 |
| InChIKey | CBWIMEHUUHLBJB-ZETCQYMHSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(C[C@@](C(C)C)(C)[H])(=O)OC |