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Rel-(2R,4S,5R)-4-(2',3'-Dibromo-4'-hydroxy-5'-methoxyphenyl)-2,5-dimethyl-1,3-dioxolane
SpectraBase Compound ID LD0ptvqkRSD
InChI InChI=1S/C12H14Br2O4/c1-5-12(18-6(2)17-5)7-4-8(16-3)11(15)10(14)9(7)13/h4-6,12,15H,1-3H3/t5-,6-,12-/m1/s1
InChIKey DACZAEOODBWSRT-IJESPZCISA-N
Mol Weight 382.05 g/mol
Molecular Formula C12H14Br2O4
Exact Mass 379.925885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzTKDCWhMBd
Name Rel-(2R,4S,5R)-4-(2',3'-Dibromo-4'-hydroxy-5'-methoxyphenyl)-2,5-dimethyl-1,3-dioxolane
Appearance White plates
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Formula C12H14Br2O4
InChI InChI=1S/C12H14Br2O4/c1-5-12(18-6(2)17-5)7-4-8(16-3)11(15)10(14)9(7)13/h4-6,12,15H,1-3H3/t5-,6-,12-/m1/s1
InChIKey DACZAEOODBWSRT-IJESPZCISA-N
Instrument Name Hewlett Packard 5986 or Perkin Elmer ITD Ion Trap Detector
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.a14
Molecular Weight 382.048 g/mol
SMILES Oc1c(OC)cc(c(c1Br)Br)[C@@]1(O[C@@](O[C@@]1(C)[H])(C)[H])[H]
SPLASH splash10-0540-0029000000-31d31445e954621b7c30
Source of Spectrum ARK-2004-146-22
Wiley ID 1875838