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(2E,6E)-2-Methyl-octa-2,6-dienedioic acid 8-ethyl ester 1-methyl ester
SpectraBase Compound ID 3mmptjRSLWF
InChI InChI=1S/C12H18O4/c1-4-16-11(13)9-7-5-6-8-10(2)12(14)15-3/h7-9H,4-6H2,1-3H3/b9-7+,10-8+
InChIKey YXADVPYXGZVLMR-FIFLTTCUSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C72f230Bnp8
Name (2E,6E)-2-Methyl-octa-2,6-dienedioic acid 8-ethyl ester 1-methyl ester
Alternate Name(s) (2E,6E)-1-Methyl-8-ethyl 2-methylocta-2,6-dienoate 8-Ethyl 1-methyl (2E,6E)-2-methyl-2,6-octadienedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-4-16-11(13)9-7-5-6-8-10(2)12(14)15-3/h7-9H,4-6H2,1-3H3/b9-7+,10-8+
InChIKey YXADVPYXGZVLMR-FIFLTTCUSA-N
Molecular Weight 226.272 g/mol
SMILES C(\C(=C\CC\C=C\C(=O)OCC)C)(=O)OC
SPLASH splash10-03du-8900000000-4d5f18ee2b58494004c7
Source of Spectrum F-52-6607-9
Wiley ID 796563