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(3S)-3-[(3S)-2-ketotetrahydropyran-3-yl]valeric acid methyl ester
SpectraBase Compound ID I85XowuJTvX
InChI InChI=1S/C11H18O4/c1-3-8(7-10(12)14-2)9-5-4-6-15-11(9)13/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKey YPPYNCXEKLGMPK-IUCAKERBSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbO7tzs78RE
Name (3S)-3-[(3S)-2-ketotetrahydropyran-3-yl]valeric acid methyl ester
Alternate Name(s) (3S)-3-[(3S)-2-oxo-3-oxanyl]pentanoic acid methyl ester Methyl (3S)-3-[(3S)-2-oxidanylideneoxan-3-yl]pentanoate Methyl (3S)-3-[(3S)-2-oxooxan-3-yl]pentanoate Methyl (3S)-3-[(3S)-2-oxotetrahydropyran-3-yl]pentanoate
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Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-3-8(7-10(12)14-2)9-5-4-6-15-11(9)13/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKey YPPYNCXEKLGMPK-IUCAKERBSA-N
Molecular Weight 214.261 g/mol
SMILES C1([C@]([C@](CC(=O)OC)(CC)[H])(CCCO1)[H])=O
SPLASH splash10-0udi-2900000000-b501536a5dec11b7f668
Source of Spectrum SO-0-240-5
Wiley ID 876214