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(3S)-3-[(3S)-2-ketotetrahydropyran-3-yl]butyric acid methyl ester
SpectraBase Compound ID 2GtytSOZVCN
InChI InChI=1S/C10H16O4/c1-7(6-9(11)13-2)8-4-3-5-14-10(8)12/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey CMYOTHVVIJTZEJ-YUMQZZPRSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3voy57h88L
Name (3S)-3-[(3S)-2-ketotetrahydropyran-3-yl]butyric acid methyl ester
Alternate Name(s) (3S)-3-[(3S)-2-oxo-3-oxanyl]butanoic acid methyl ester Methyl (3S)-3-[(3S)-2-oxidanylideneoxan-3-yl]butanoate Methyl (3S)-3-[(3S)-2-oxooxan-3-yl]butanoate Methyl (3S)-3-[(3S)-2-oxotetrahydropyran-3-yl]butanoate
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Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-7(6-9(11)13-2)8-4-3-5-14-10(8)12/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey CMYOTHVVIJTZEJ-YUMQZZPRSA-N
Molecular Weight 200.234 g/mol
SMILES C1([C@]([C@](CC(=O)OC)(C)[H])(CCCO1)[H])=O
SPLASH splash10-0v00-3900000000-6f748cd1fa5be5e66b2d
Source of Spectrum SO-0-240-5
Wiley ID 876215