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2-Isobutyl-4,4-dimethyl-1,3-dioxane
SpectraBase Compound ID 4kLJiua77Vg
InChI InChI=1S/C10H20O2/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3
InChIKey JKEZOTPYPOUIAK-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFSMG1UCPKv
Name 2-Isobutyl-4,4-dimethyl-1,3-dioxane
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820795
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Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3
InChIKey JKEZOTPYPOUIAK-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C1CC(OC(O1)CC(C)C)(C)C
SPLASH splash10-016r-9000000000-26658b36ba85bc76473b
Wiley ID 1471793