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15-yn-chromomoric acid C methyl ester
SpectraBase Compound ID DqbsLJCaxtx
InChI InChI=1S/C19H26O3/c1-3-4-8-12-17-16(14-15-18(17)20)11-9-6-5-7-10-13-19(21)22-2/h12,14-16H,3,5-7,9-11,13H2,1-2H3/b17-12+/t16-/m0/s1
InChIKey TVRWCIXXPZUGAL-WLSWZUKCSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aJVu0Teos6
Name 15-yn-chromomoric acid C methyl ester
Alternate Name(s) Methyl 8-[(S)-(2E)-3-oxo-2-(pent-2-yn-1-ylidene)-4-cyclopentenyl]octanoate Methyl 8-[(1S,5E)-4-oxo-5-(2-pentynylidene)-2-cyclopenten-1-yl]octanoate Methyl 8-[(2E)-3-oxo-2-(pent-2-yn-1-ylidene)-4-cyclopentenyl]octanoate
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Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-3-4-8-12-17-16(14-15-18(17)20)11-9-6-5-7-10-13-19(21)22-2/h12,14-16H,3,5-7,9-11,13H2,1-2H3/b17-12+/t16-/m0/s1
InChIKey TVRWCIXXPZUGAL-WLSWZUKCSA-N
Molecular Weight 302.414 g/mol
SMILES C1(\C([C@](C=C1)(CCCCCCCC(=O)OC)[H])=C\C#CCC)=O
SPLASH splash10-0w29-0529000000-b07d6bcf993832552f72
Source of Spectrum F-50-12345-12
Wiley ID 789818