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1,3-Dioxane-5-D, 2-(1,1-dimethylethyl)-4-methyl-, [2S-(2.alpha.,4.alpha.,5.alpha.)]-
SpectraBase Compound ID IQ9vvdEtFia
InChI InChI=1S/C9H18O2/c1-7-5-6-10-8(11-7)9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1/i5D/t5-,7-,8+
InChIKey JZIXYNXMJADQGP-GPVGQOGDSA-N
Mol Weight 159.25 g/mol
Molecular Formula C9H17DO2
Exact Mass 159.136957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrYUEX1Prtf
Name 1,3-Dioxane-5-D, 2-(1,1-dimethylethyl)-4-methyl-, [2S-(2.alpha.,4.alpha.,5.alpha.)]-
Alternate Name(s) (2S,4R,5R)-2-tert-Butyl-(5-D1)-4-methyl-1,3-dioxane
CAS Registry Number 84803-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17DO2
InChI InChI=1S/C9H18O2/c1-7-5-6-10-8(11-7)9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1/i5D/t5-,7-,8+
InChIKey JZIXYNXMJADQGP-GPVGQOGDSA-N
Molecular Weight 159.247 g/mol
SMILES [C@@]1(O[C@](C)([C@@](CO1)([D])[H])[H])(C(C)(C)C)[H]
SPLASH splash10-0pb9-9800000000-d504bd693aa503402d57
Source of Spectrum C-105-2413-0
Wiley ID 1155612