| SpectraBase Compound ID | 1E5c2TWHHrH |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3 |
| InChIKey | XIGZBCUFFUBWDM-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JX3bnp6Sk4p |
|---|---|
| Name | Heptanoic acid, 2-acetyl-, ethyl ester |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3 |
| InChIKey | XIGZBCUFFUBWDM-UHFFFAOYSA-N |
| Molecular Weight | 200.1407 |
| SMILES | CCCCCC(C(OCC)=O)C(C)=O |
| SPLASH | splash10-0fdo-9800000000-8a5562cfd73e90371ec9 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |