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1,3-Dioxane, 2,2,4-trimethyl-5-(phenylmethoxy)-, cis-
SpectraBase Compound ID A4PmuFg4o4H
InChI InChI=1S/C14H20O3/c1-11-13(10-16-14(2,3)17-11)15-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t11-,13-/m1/s1
InChIKey JTYVVDAZCGSEDZ-DGCLKSJQSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InSWo6DlFhP
Name 1,3-Dioxane, 2,2,4-trimethyl-5-(phenylmethoxy)-, cis-
Alternate Name(s) (4R,5R)-5-(benzyloxy)-2,2,4-trimethyl-1,3-dioxane benzyl (4R,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl ether cis-2,2,4-trimethyl-5-(benzyloxy)-1,3-dioxane
CAS Registry Number 126822-53-5
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-11-13(10-16-14(2,3)17-11)15-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t11-,13-/m1/s1
InChIKey JTYVVDAZCGSEDZ-DGCLKSJQSA-N
Molecular Weight 236.311 g/mol
SMILES C1(O[C@@]([C@@](CO1)(OCc1ccccc1)[H])(C)[H])(C)C
SPLASH splash10-0002-0900000000-b570df10267eb7d1ba4c
Source of Spectrum C-112-3539-16
Wiley ID 1238426