| SpectraBase Compound ID | KNoo4SNzAl |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3,(H,10,11) |
| InChIKey | OSAHCBHKCKPJGI-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EDoVaAgssWF |
|---|---|
| Name | OCTANOIC ACID, 7-OXO- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3,(H,10,11) |
| InChIKey | OSAHCBHKCKPJGI-UHFFFAOYSA-N |
| Molecular Weight | 158.0939 |
| SMILES | OC(=O)CCCCCC(=O)C |
| SPLASH | splash10-052f-9000000000-d3d3d6054e5f4cc76321 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |