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rel-(2S,4R,6S)-4,6-Dimethyl-2-[1'-hexynyl]-1,3-dioxane
SpectraBase Compound ID 80BAuJiyyYh
InChI InChI=1S/C12H20O2/c1-4-5-6-7-8-12-13-10(2)9-11(3)14-12/h10-12H,4-6,9H2,1-3H3/t10-,11+,12-
InChIKey QJJKSCNCZBVNDU-ZSBIGDGJSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YpFYt0bVnS
Name rel-(2S,4R,6S)-4,6-Dimethyl-2-[1'-hexynyl]-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-4-5-6-7-8-12-13-10(2)9-11(3)14-12/h10-12H,4-6,9H2,1-3H3/t10-,11+,12-
InChIKey QJJKSCNCZBVNDU-ZSBIGDGJSA-N
Molecular Weight 196.290 g/mol
SMILES [C@]1(C#CCCCC)(O[C@@](C)(C[C@](O1)(C)[H])[H])[H]
SPLASH splash10-00kf-9300000000-3d094a7cfe63eaf8ba43
Source of Spectrum C-113-8105-0
Synonyms (4R,6S)-2-(1-hexynyl)-4,6-dimethyl-1,3-dioxane
Wiley ID 1193666