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(1'S,2R,5S,6R)-2-(t-butyl)-5-(1'-hydroxyisobutyl)-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID IvMF7JlGo2v
InChI InChI=1S/C13H24O4/c1-7(2)10(14)9-8(3)16-12(13(4,5)6)17-11(9)15/h7-10,12,14H,1-6H3/t8-,9-,10+,12-/m1/s1
InChIKey AMXCXHJFKUPUDH-MWGHHZFTSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZLWn6IzniC
Name (1'S,2R,5S,6R)-2-(t-butyl)-5-(1'-hydroxyisobutyl)-6-methyl-1,3-dioxan-4-one
Alternate Name(s) (2R,5S,6R)-2-tert-butyl-5-[(1S)-1-hydroxy-2-methylpropyl]-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-7(2)10(14)9-8(3)16-12(13(4,5)6)17-11(9)15/h7-10,12,14H,1-6H3/t8-,9-,10+,12-/m1/s1
InChIKey AMXCXHJFKUPUDH-MWGHHZFTSA-N
Molecular Weight 244.331 g/mol
SMILES O[C@]([C@@]1(C(O[C@@](O[C@@]1(C)[H])(C(C)(C)C)[H])=O)[H])(C(C)C)[H]
SPLASH splash10-0007-9220000000-b03c27c6e3e2137bd1a1
Source of Spectrum K-123-2418-3
Wiley ID 1246968