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(1S)-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)-4-pentyn-1-ol
SpectraBase Compound ID Gs7rLiNdxeJ
InChI InChI=1S/C12H20O3/c1-5-6-7-10(13)12(4)8-14-11(2,3)15-9-12/h1,10,13H,6-9H2,2-4H3/t10-/m0/s1
InChIKey RGYLAWOQFJELPQ-JTQLQIEISA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqUdxfLCLa1
Name (1S)-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)-4-pentyn-1-ol
CAS Registry Number 129540-01-8
Comments Less than 3 mono-isotopic peaks
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Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-6-7-10(13)12(4)8-14-11(2,3)15-9-12/h1,10,13H,6-9H2,2-4H3/t10-/m0/s1
InChIKey RGYLAWOQFJELPQ-JTQLQIEISA-N
Molecular Weight 212.289 g/mol
SMILES O[C@](C1(COC(OC1)(C)C)C)(CCC#C)[H]
SPLASH splash10-0002-0900000000-01fc1e9c319eb63f85bb
Source of Spectrum J-57-2573-21
Synonyms (1S)-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)pent-4-yn-1-ol
Wiley ID 1211594