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Ethyl 2-acetyl-2,5-dimethyl-4-hexenoate
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)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HynqJJeQDlB
Name Ethyl 2-acetyl-2,5-dimethylhex-4-enoate
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905827
Molecular Weight 212.289 g/mol
SMILES C(C=C(C)C)C(C(OCC)=O)(C(=O)C)C
SPLASH splash10-01bc-7900000000-eabff192f972f2db2444
Source of Spectrum QE-26-SM28-S1
Thin-Layer Chromatography Rf = 0.30 (pentane/Et2O, 10/1)
Wiley ID 1858526