| SpectraBase Compound ID | 3JrFFcFwgRv |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
| InChIKey | FUZZWVXGSFPDMH-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 | HjLLRWUBPgq |
|---|---|
| Name | n-hexanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
| InChIKey | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| Instrument Name | GC-MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np300739y |
| Molecular Weight | 116.160 g/mol |
| SMILES | OC(CCCCC)=O |
| SPLASH | splash10-0a4i-9000000000-68114d065cc2045c73fd |
| Source of Spectrum | G4-76-69-n-hexanoic acid |
| Wiley ID | 1854851 |