| SpectraBase Compound ID | LcADrPKwXpd |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h11H,4-9H2,1-3H3 |
| InChIKey | BRGRZPQESQKATK-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 77EoUy3GLVY |
|---|---|
| Name | 2-Acetyloctanoic acid, ethyl ester |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h11H,4-9H2,1-3H3 |
| InChIKey | BRGRZPQESQKATK-UHFFFAOYSA-N |
| Molecular Weight | 214.1563 |
| SMILES | CCCCCCC(C(OCC)=O)C(C)=O |
| SPLASH | splash10-0f6x-9400000000-249c7b5a51903ee96eff |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |