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(2E)-4-ethyl-2-[(1S)-3-ketocyclopentyl]penta-2,4-dienoic acid ethyl ester
SpectraBase Compound ID 4sBqRCOuHay
InChI InChI=1S/C14H20O3/c1-4-10(3)8-13(14(16)17-5-2)11-6-7-12(15)9-11/h8,11H,3-7,9H2,1-2H3/b13-8+/t11-/m0/s1
InChIKey JTHAXZBDOUGLDM-ZWSXMNCCSA-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 CXJIGzoK30Y
Name (2E)-4-ethyl-2-[(1S)-3-ketocyclopentyl]penta-2,4-dienoic acid ethyl ester
Alternate Name(s) (E)-4-methylene-2-[(1S)-3-oxocyclopentyl]-2-hexenoic acid ethyl ester ethyl (E)-4-methylene-2-[(1S)-3-oxocyclopentyl]hex-2-enoate ethyl (E)-4-methylidene-2-[(1S)-3-oxidanylidenecyclopentyl]hex-2-enoate ethyl (E)-4-methylidene-2-[(1S)-3-oxocyclopentyl]hex-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-4-10(3)8-13(14(16)17-5-2)11-6-7-12(15)9-11/h8,11H,3-7,9H2,1-2H3/b13-8+/t11-/m0/s1
InChIKey JTHAXZBDOUGLDM-ZWSXMNCCSA-N
Molecular Weight 236.311 g/mol
SMILES C(\C=C\(C(=O)OCC)[C@@]1(CC(=O)CC1)[H])(=C)CC
SPLASH splash10-000j-0690000000-87f6a6968d8594412f47
Source of Spectrum F-53-9517-6
Wiley ID 802876