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5-Heptenoic acid, 7-(3-ethoxy-5-oxo-1-cyclopenten-1-yl)-, ethyl ester, (Z)-
SpectraBase Compound ID 8AnVizWLkRA
InChI InChI=1S/C16H24O4/c1-3-19-14-11-13(15(17)12-14)9-7-5-6-8-10-16(18)20-4-2/h5,7,11,14H,3-4,6,8-10,12H2,1-2H3/b7-5-
InChIKey QBYLZDBSDUGWNU-ALCCZGGFSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fxr8OxfS2vY
Name 5-Heptenoic acid, 7-(3-ethoxy-5-oxo-1-cyclopenten-1-yl)-, ethyl ester, (Z)-
Alternate Name(s) 7-(3-Ethoxy-1-oxo-2-cyclopenten-2-yl)-5(Z)-heptenoic acid ethyl ester 7-(4-Ethoxy-1-oxo-2-cyclopenten-2-yl)-5(Z)-heptenoic acid ethyl ester ethyl (5Z)-7-(3-ethoxy-5-oxo-1-cyclopenten-1-yl)-5-heptenoate
CAS Registry Number 110901-06-9
Comments Less than 3 mono-isotopic peaks
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Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-3-19-14-11-13(15(17)12-14)9-7-5-6-8-10-16(18)20-4-2/h5,7,11,14H,3-4,6,8-10,12H2,1-2H3/b7-5-
InChIKey QBYLZDBSDUGWNU-ALCCZGGFSA-N
Molecular Weight 280.364 g/mol
SMILES C=1(C(CC(C1)OCC)=O)C\C=C/CCCC(=O)OCC
SPLASH splash10-001i-0090000000-02c5dcc37604c9617ea2
Source of Spectrum O-22-230-3
Wiley ID 1283979