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Methyl (Z)-7-(6-Oxo-1-cyclohexenyl)-5-heptenoate
SpectraBase Compound ID IfSmne9QhNC
InChI InChI=1S/C14H20O3/c1-17-14(16)11-5-3-2-4-8-12-9-6-7-10-13(12)15/h2,4,9H,3,5-8,10-11H2,1H3/b4-2-
InChIKey PHKNLVZEDWQDIB-RQOWECAXSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7viHLtlfzw9
Name Methyl (Z)-7-(6-Oxo-1-cyclohexenyl)-5-heptenoate
CAS Registry Number 71098-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-17-14(16)11-5-3-2-4-8-12-9-6-7-10-13(12)15/h2,4,9H,3,5-8,10-11H2,1H3/b4-2-
InChIKey PHKNLVZEDWQDIB-RQOWECAXSA-N
Molecular Weight 236.311 g/mol
SMILES C=1(C(=O)CCCC1)C\C=C/CCCC(=O)OC
SPLASH splash10-002r-4930000000-5f9f261136abcb0d9364
Source of Spectrum J-57-3149-6
Synonyms Methyl (5Z)-7-(6-oxo-1-cyclohexen-1-yl)-5-heptenoate (Z)-7-(6-oxo-1-cyclohexenyl)-5-heptenoic acid methyl ester Methyl (Z)-7-(6-oxocyclohexen-1-yl)hept-5-enoate Methyl (Z)-7-(6-oxidanylidenecyclohexen-1-yl)hept-5-enoate
Wiley ID 1238455