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1,4,8,12-Cyclohexadecatetraene-1,2-dicarboxylic acid, 15-methylene-, dimethyl ester, (Z,E,E,E)-
SpectraBase Compound ID 91ctmAyESCN
InChI InChI=1S/C21H28O4/c1-17-14-12-10-8-6-4-5-7-9-11-13-15-18(20(22)24-2)19(16-17)21(23)25-3/h4-5,10-13H,1,6-9,14-16H2,2-3H3/b5-4+,12-10+,13-11+,19-18-
InChIKey JLCYSQLXSKTUIE-JXHJGLKHSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jXsu1Clmss
Name 1,4,8,12-Cyclohexadecatetraene-1,2-dicarboxylic acid, 15-methylene-, dimethyl ester, (Z,E,E,E)-
Alternate Name(s) Dimethyl 14-methylenecyclo hexa deca-1,4,8,12-tetraene-1,2-dicarboxylate Dimethyl 15-methylene-1,4,8,12-cyclohexadecatetraene-1,2-dicarboxylate
CAS Registry Number 67960-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-17-14-12-10-8-6-4-5-7-9-11-13-15-18(20(22)24-2)19(16-17)21(23)25-3/h4-5,10-13H,1,6-9,14-16H2,2-3H3/b5-4+,12-10+,13-11+,19-18-
InChIKey JLCYSQLXSKTUIE-JXHJGLKHSA-N
Molecular Weight 344.451 g/mol
SMILES C(\C1=C\(CC(C\C=C\CC\C=C\CC\C=C\C1)=C)C(=O)OC)(=O)OC
SPLASH splash10-01r6-7339000000-250e8e460c183d564ed7
Source of Spectrum KC-1978-483-0
Wiley ID 1338105