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Methyl (3S/R,4S)-3-(2,2-Dimethyl-5-oxo-1,3-dioxane-4-yl)propanoate
SpectraBase Compound ID 6zD7EYAxiNp
InChI InChI=1S/C10H16O5/c1-10(2)14-6-7(11)8(15-10)4-5-9(12)13-3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKey NPKYACZOTPZNEH-QMMMGPOBSA-N
Mol Weight 216.23 g/mol
Molecular Formula C10H16O5
Exact Mass 216.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7p7jHksOeu3
Name Methyl (3S/R,4S)-3-(2,2-Dimethyl-5-oxo-1,3-dioxane-4-yl)propanoate
Alternate Name(s) 3-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]propanoic acid methyl ester Methyl 3-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]propanoate Methyl 3-[(4S)-2,2-dimethyl-5-oxidanylidene-1,3-dioxan-4-yl]propanoate
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Formula C10H16O5
InChI InChI=1S/C10H16O5/c1-10(2)14-6-7(11)8(15-10)4-5-9(12)13-3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKey NPKYACZOTPZNEH-QMMMGPOBSA-N
Molecular Weight 216.233 g/mol
SMILES C1(O[C@](C(CO1)=O)(CCC(=O)OC)[H])(C)C
SPLASH splash10-0fri-9800000000-17d7bec3c1d64176f02f
Source of Spectrum SO-0-651-5
Wiley ID 874509