| SpectraBase Compound ID | Gn644OjwOap |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lmssd6EEJNz |
|---|---|
| Name | 3-Methylvaleric acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 116.160 g/mol |
| SMILES | OC(CC(CC)C)=O |
| SPLASH | splash10-03di-9000000000-38d273680363d96a1007 |
| Source of Spectrum | SRH-2022-9187-0 |
| Wiley ID | 1830858 |