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REL-(2R,4R,5R)-4-(2'-CHLORO-5'-METHOXYPHENYL)-2,5-DIMETHYL-1,3-DIOXOLANE
SpectraBase Compound ID 3jbfIgL0ctC
InChI InChI=1S/C12H15ClO3/c1-7-12(16-8(2)15-7)10-6-9(14-3)4-5-11(10)13/h4-8,12H,1-3H3/t7-,8-,12+/m1/s1
InChIKey STIZCWZVVZTDIZ-RWYTXXIDSA-N
Mol Weight 242.7 g/mol
Molecular Formula C12H15ClO3
Exact Mass 242.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Cw275cBGhE
Name rel-(2R,4R,5R) -and (2S,4R,5R)-4-(2'-Chloro-5'-methoxyphenyl)-2,5-dimethyl-1,3-dioxolane
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Formula C12H15ClO3
InChI InChI=1S/C12H15ClO3/c1-7-12(16-8(2)15-7)10-6-9(14-3)4-5-11(10)13/h4-8,12H,1-3H3/t7-,8-,12+/m1/s1
InChIKey STIZCWZVVZTDIZ-RWYTXXIDSA-N
Molecular Weight 242.702 g/mol
SMILES c1([C@]2(O[C@@](C)([H])O[C@@]2(C)[H])[H])c(ccc(c1)OC)Cl
SPLASH splash10-00r6-9500000000-4e7cf11a0ed8bf7aba97
Source of Spectrum KC-0-3368-14
Synonyms (2R,4R,5R)-4-(2-chloro-5-methoxyphenyl)-2,5-dimethyl-1,3-dioxolane (2R,4R,5R)-4-(2-chloranyl-5-methoxy-phenyl)-2,5-dimethyl-1,3-dioxolane
Wiley ID 823764