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t-Butyl (3R,5S)-3,5-syn-isopropylidenedioxy-6-heptynoate
SpectraBase Compound ID I9olmkYb02a
InChI InChI=1S/C14H22O4/c1-7-10-8-11(17-14(5,6)16-10)9-12(15)18-13(2,3)4/h1,10-11H,8-9H2,2-6H3/t10-,11-/m1/s1
InChIKey ONRIXEOKDVFZSG-GHMZBOCLSA-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 77tDxEOXwfm
Name t-Butyl (3R,5S)-3,5-syn-isopropylidenedioxy-6-heptynoate
Alternate Name(s) tert-Butyl[(4R,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate tert-Butyl 2-[(4R,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate tert-Butyl 2-[(4R,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanoate
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Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-7-10-8-11(17-14(5,6)16-10)9-12(15)18-13(2,3)4/h1,10-11H,8-9H2,2-6H3/t10-,11-/m1/s1
InChIKey ONRIXEOKDVFZSG-GHMZBOCLSA-N
Molecular Weight 254.326 g/mol
SMILES C1(O[C@@](CC(OC(C)(C)C)=O)(C[C@@](C#C)(O1)[H])[H])(C)C
SPLASH splash10-0a4i-9200000000-be4ef05c95232db6d280
Source of Spectrum AT-34-8266-4
Wiley ID 852634