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Methyl 7-[(1R,2S)-2'-(hydroxymethyl)-5'-oxocyclopent-3'-en-1'-yl]heptanoate
SpectraBase Compound ID KWdadSLy2ed
InChI InChI=1S/C14H22O4/c1-18-14(17)7-5-3-2-4-6-12-11(10-15)8-9-13(12)16/h8-9,11-12,15H,2-7,10H2,1H3/t11-,12-/m1/s1
InChIKey AQXUVKBFMQXXPL-VXGBXAGGSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uIOXiCAa0k
Name Methyl 7-[(1R,2S)-2'-(hydroxymethyl)-5'-oxocyclopent-3'-en-1'-yl]heptanoate
Alternate Name(s) Methyl 7-[(1R,2S)-2-(hydroxymethyl)-5-oxo-3-cyclopenten-1-yl]heptanoate Methyl 7-[2'-(hydroxymethyl)-5'-oxocyclopent-3'-en-1'-yl]heptanoate
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Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-18-14(17)7-5-3-2-4-6-12-11(10-15)8-9-13(12)16/h8-9,11-12,15H,2-7,10H2,1H3/t11-,12-/m1/s1
InChIKey AQXUVKBFMQXXPL-VXGBXAGGSA-N
Molecular Weight 254.326 g/mol
SMILES OC[C@]1(C=CC([C@@]1(CCCCCCC(=O)OC)[H])=O)[H]
SPLASH splash10-03di-6900000000-a0fd03d5ba21446fdaf0
Source of Spectrum G-61-1518-17
Wiley ID 749075