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(5E)-2-methyl-2-(1-oxopropyl)octa-5,7-dienoic acid methyl ester
SpectraBase Compound ID Au4E6kxZQaa
InChI InChI=1S/C13H20O3/c1-5-7-8-9-10-13(3,11(14)6-2)12(15)16-4/h5,7-8H,1,6,9-10H2,2-4H3/b8-7+
InChIKey UXHSATHRSLWDOM-BQYQJAHWSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mvhi6TOOvH
Name (5E)-2-methyl-2-(1-oxopropyl)octa-5,7-dienoic acid methyl ester
Alternate Name(s) (5E)-2-methyl-2-propionyl-octa-5,7-dienoic acid methyl ester Methyl (5E)-2-methyl-2-propanoyl-octa-5,7-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-7-8-9-10-13(3,11(14)6-2)12(15)16-4/h5,7-8H,1,6,9-10H2,2-4H3/b8-7+
InChIKey UXHSATHRSLWDOM-BQYQJAHWSA-N
Molecular Weight 224.300 g/mol
SMILES C(C(=O)OC)(C(=O)CC)(CC\C=C\C=C)C
SPLASH splash10-052f-7900000000-546a443046651843586a
Source of Spectrum J-60-5090-0
Wiley ID 1225387