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1',4',4'-Trimethylpent-2-enyl (2'E)-4-oxopentanoate
SpectraBase Compound ID 5U7W9YbXNoy
InChI InChI=1S/C13H22O3/c1-10(14)6-7-12(15)16-11(2)8-9-13(3,4)5/h8-9,11H,6-7H2,1-5H3/b9-8+
InChIKey JRJWFINSYZVWDT-CMDGGOBGSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81mczPs7HNT
Name 1',4',4'-Trimethylpent-2-enyl (2'E)-4-oxopentanoate
Alternate Name(s) (2E)-1,4,4-trimethyl-2-pentenyl 4-oxopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-10(14)6-7-12(15)16-11(2)8-9-13(3,4)5/h8-9,11H,6-7H2,1-5H3/b9-8+
InChIKey JRJWFINSYZVWDT-CMDGGOBGSA-N
Molecular Weight 226.316 g/mol
SMILES C(OC(\C=C\C(C)(C)C)C)(=O)CCC(=O)C
SPLASH splash10-0002-9100000000-e0d2c599995301633390
Source of Spectrum U1-2004-364-34
Wiley ID 1560119