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3-Chloro-5-(1,3-dioxan-2-yl)-2-methoxyphenyl Trifluoromethane Sulfonate
SpectraBase Compound ID GQeCziXWGpA
InChI InChI=1S/C12H12ClF3O6S/c1-19-10-8(13)5-7(11-20-3-2-4-21-11)6-9(10)22-23(17,18)12(14,15)16/h5-6,11H,2-4H2,1H3
InChIKey GKAVOUSTSJNNJQ-UHFFFAOYSA-N
Mol Weight 376.73 g/mol
Molecular Formula C12H12ClF3O6S
Exact Mass 375.999521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DP6evXr6OkA
Name 3-Chloro-5-(1,3-dioxan-2-yl)-2-methoxyphenyl Trifluoromethane Sulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C12H12ClF3O6S
InChI InChI=1S/C12H12ClF3O6S/c1-19-10-8(13)5-7(11-20-3-2-4-21-11)6-9(10)22-23(17,18)12(14,15)16/h5-6,11H,2-4H2,1H3
InChIKey GKAVOUSTSJNNJQ-UHFFFAOYSA-N
Molecular Weight 376.730 g/mol
SMILES C(S(Oc1c(c(Cl)cc(c1)C1OCCCO1)OC)(=O)=O)(F)(F)F
SPLASH splash10-004i-0009000000-a8daa2526d22412a4d1e
Source of Spectrum CV-2002-2507-37
Synonyms trifluoromethanesulfonic acid [3-chloro-5-(1,3-dioxan-2-yl)-2-methoxyphenyl] ester [3-chloro-5-(1,3-dioxan-2-yl)-2-methoxyphenyl] trifluoromethanesulfonate [3-chloro-5-(1,3-dioxan-2-yl)-2-methoxy-phenyl] trifluoromethanesulfonate [3-chloranyl-5-(1,3-dioxan-2-yl)-2-methoxy-phenyl] tris(fluoranyl)methanesulfonate
Wiley ID 1610498