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Methyl trans-8-[3-oxo-2-(2-pentynyl)-4-cyclopentenyl]octanoate
SpectraBase Compound ID JBMWlqDshKR
InChI InChI=1S/C19H28O3/c1-3-4-8-12-17-16(14-15-18(17)20)11-9-6-5-7-10-13-19(21)22-2/h14-17H,3,5-7,9-13H2,1-2H3/t16-,17+/m0/s1
InChIKey RLQOWASVYRKVDU-DLBZAZTESA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sgwvqzOCWs
Name Methyl trans-8-[3-oxo-2-(2-pentynyl)-4-cyclopentenyl]octanoate
Alternate Name(s) Methyl 8-[(1R,5S)-4-oxo-5-(2-pentynyl)-2-cyclopenten-1-yl]octanoate 8-[(1S,5R)-4-oxo-5-pent-2-ynyl-1-cyclopent-2-enyl]octanoic acid methyl ester Methyl 8-[(1S,5R)-4-oxo-5-pent-2-ynylcyclopent-2-en-1-yl]octanoate Methyl 8-[(1S,5R)-4-oxo-5-pent-2-ynyl-cyclopent-2-en-1-yl]octanoate Methyl 8-[(1S,5R)-4-oxidanylidene-5-pent-2-ynyl-cyclopent-2-en-1-yl]octanoate
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Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-3-4-8-12-17-16(14-15-18(17)20)11-9-6-5-7-10-13-19(21)22-2/h14-17H,3,5-7,9-13H2,1-2H3/t16-,17+/m0/s1
InChIKey RLQOWASVYRKVDU-DLBZAZTESA-N
Molecular Weight 304.430 g/mol
SMILES C=1C([C@](CC#CCC)([C@](C1)(CCCCCCCC(=O)OC)[H])[H])=O
SPLASH splash10-0fb9-0092000000-be505d1dcdc9107d9318
Source of Spectrum F-51-177-8
Wiley ID 790453