| SpectraBase Compound ID | 3iLITB1ZbBU |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-6-15-11(14)12(5,10(4)13)8-7-9(2)3/h7H,6,8H2,1-5H3 |
| InChIKey | BBYWPJLLYFMKRM-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8HEw1JcGsn5 |
|---|---|
| Name | 2-ACETYL-2,5-DIMETHYL-HEX-4-ENOIC ACID, ETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-6-15-11(14)12(5,10(4)13)8-7-9(2)3/h7H,6,8H2,1-5H3 |
| InChIKey | BBYWPJLLYFMKRM-UHFFFAOYSA-N |
| Molecular Weight | 212.1407 |
| SMILES | CC(=CCC(C(OCC)=O)(C)C(C)=O)C |
| SPLASH | splash10-01bc-9700000000-e159166fce1722bfc9a0 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |