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2-keto-1-[(E)-prop-1-enyl]cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID Ez78Vz2VN5h
InChI InChI=1S/C12H18O3/c1-3-8-12(11(14)15-4-2)9-6-5-7-10(12)13/h3,8H,4-7,9H2,1-2H3/b8-3+
InChIKey SJTGXYMIWSWNDT-FPYGCLRLSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PuwIJDT9FA
Name 2-keto-1-[(E)-prop-1-enyl]cyclohexanecarboxylic acid ethyl ester
Alternate Name(s) 2-Oxo-1-[(E)-prop-1-enyl]-1-cyclohexanecarboxylic acid ethyl ester Ethyl 2-oxidanylidene-1-[(E)-prop-1-enyl]cyclohexane-1-carboxylate Ethyl 2-oxo-1-[(E)-prop-1-enyl]cyclohexane-1-carboxylate Ethyl 2-oxo-1-[(E)-prop-1-enyl]cyclohexanecarboxylate
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-3-8-12(11(14)15-4-2)9-6-5-7-10(12)13/h3,8H,4-7,9H2,1-2H3/b8-3+
InChIKey SJTGXYMIWSWNDT-FPYGCLRLSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCC1)\C=C\C
SPLASH splash10-000i-0910000000-8979527183f6cc035781
Source of Spectrum K-127-872-44
Wiley ID 1209297