| SpectraBase Compound ID | 9Z2KfaPXdYd |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | OVBFMEVBMNZIBR-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 | 2kRwz05bo7U |
|---|---|
| Name | 2-Methylpentanoic acid |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 116.083729624 u |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 116.160 g/mol |
| Nominal Mass | 116 u |
| Quality | 977 |
| Retention Index | 1017 |
| SMILES | OC(C(CCC)C)=O |
| SPLASH | splash10-00di-9000000000-1aaa80827c7fb632b594 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 2-methylpentanoic acid |
| Technique | GC/MS |
| Wiley ID | DD2024_025356 |