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(8R,12R)-1,2-DIOXANE-ESTER
SpectraBase Compound ID L4rEZgWrXd4
InChI InChI=1S/C14H18O4/c1-10-4-6-11(7-5-10)14(2)9-8-12(17-18-14)13(15)16-3/h4-7,12H,8-9H2,1-3H3/t12-,14-/m1/s1
InChIKey SQJXCJAOSFRFQZ-TZMCWYRMSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1V5Byn6q2K
Name (3R,6R)-6-methyl-6-(4-methylphenyl)-3-dioxanecarboxylic acid methyl ester
Alternate Name(s) (3R,6R)-6-methyl-6-(p-tolyl)dioxane-3-carboxylic acid methyl ester Methyl (3R,6R)-6-methyl-6-(4-methylphenyl)-1,2-dioxane-3-carboxylate Methyl (3R,6R)-6-methyl-6-(4-methylphenyl)dioxane-3-carboxylate Methyl (3R,6R)-6-methyl-6-(p-tolyl)dioxane-3-carboxylate
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-10-4-6-11(7-5-10)14(2)9-8-12(17-18-14)13(15)16-3/h4-7,12H,8-9H2,1-3H3/t12-,14-/m1/s1
InChIKey SQJXCJAOSFRFQZ-TZMCWYRMSA-N
Molecular Weight 250.294 g/mol
SMILES [C@@]1(OO[C@](CC1)(c1ccc(cc1)C)C)(C(=O)OC)[H]
SPLASH splash10-0159-2910000000-0f6e81176dd7f95c9512
Source of Spectrum J-60-3043-17
Wiley ID 1253385