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(2R,3R,4S)-1-tert-Butyl-3,4-O-isopropylidenehex-5-yne-1,2,3,4-tetraol
SpectraBase Compound ID KPnIFyHzcUm
InChI InChI=1S/C13H22O4/c1-7-10-11(17-13(5,6)16-10)9(14)8-15-12(2,3)4/h1,9-11,14H,8H2,2-6H3/t9-,10+,11+/m1/s1
InChIKey JEMZRIYVCCCZDV-VWYCJHECSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGTirFbu6fw
Name (2R,3R,4S)-1-tert-Butyl-3,4-O-isopropylidenehex-5-yne-1,2,3,4-tetraol
Alternate Name(s) (1R)-1-[(4R,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylbutane-1,2-diol (2R,3S,4S)-1-tert-Butyl-3,4-O-isopropylidenehex-5-yne-1,2,3,4-tetraol (1R)-1-[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
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Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-7-10-11(17-13(5,6)16-10)9(14)8-15-12(2,3)4/h1,9-11,14H,8H2,2-6H3/t9-,10+,11+/m1/s1
InChIKey JEMZRIYVCCCZDV-VWYCJHECSA-N
Molecular Weight 242.315 g/mol
SMILES O[C@@]([C@@]1(OC(C)(C)O[C@]1(C#C)[H])[H])(COC(C)(C)C)[H]
SPLASH splash10-000i-0900000000-2b24adea70a03911decc
Source of Spectrum KC-0-1561-16
Wiley ID 784120