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(4R,5S)-2,2,5-trimethyl-4-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
SpectraBase Compound ID 4VbwPCslmOG
InChI InChI=1S/C17H26O3/c1-13(10-18-12-15-8-6-5-7-9-15)16-14(2)11-19-17(3,4)20-16/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14-,16+/m0/s1
InChIKey HUXCXFCCXCGDPL-OFQRWUPVSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqvjeiUYjZv
Name (4R,5S)-2,2,5-trimethyl-4-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
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Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-13(10-18-12-15-8-6-5-7-9-15)16-14(2)11-19-17(3,4)20-16/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14-,16+/m0/s1
InChIKey HUXCXFCCXCGDPL-OFQRWUPVSA-N
Molecular Weight 278.392 g/mol
SMILES [C@]1(OC(OC[C@@]1(C)[H])(C)C)([C@](COCc1ccccc1)(C)[H])[H]
SPLASH splash10-0006-9000000000-f3d39bd074a56159c002
Source of Spectrum E1-37-1700-0
Synonyms (4R,5S)-4-[(1S)-2-benzoxy-1-methyl-ethyl]-2,2,5-trimethyl-1,3-dioxane (4R,5S)-4-[(1S)-2-benzyloxy-1-methyl-ethyl]-2,2,5-trimethyl-1,3-dioxane
Wiley ID 1517811