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2-[(4R,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid ethyl ester
SpectraBase Compound ID HK0hVQv83ON
InChI InChI=1S/C12H18O4/c1-5-9-7-10(8-11(13)14-6-2)16-12(3,4)15-9/h1,9-10H,6-8H2,2-4H3/t9-,10-/m1/s1
InChIKey SEQLRKLYEFAWIF-NXEZZACHSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mHGBJu0JIZ
Name 2-[(4R,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid ethyl ester
Alternate Name(s) Ethyl 2-[(4R,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate Ethyl 2-[(4R,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanoate
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-5-9-7-10(8-11(13)14-6-2)16-12(3,4)15-9/h1,9-10H,6-8H2,2-4H3/t9-,10-/m1/s1
InChIKey SEQLRKLYEFAWIF-NXEZZACHSA-N
Molecular Weight 226.272 g/mol
SMILES C1(O[C@@](CC(=O)OCC)(C[C@@](C#C)(O1)[H])[H])(C)C
SPLASH splash10-03di-0090000000-4cd8da78e8ca7d887683
Source of Spectrum AT-34-8270-3
Wiley ID 852632