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Rel-(2R,4S,5R)-4-(1'-Bromo-4'-methoxynaphthalen-2'-yl)-2,5-dimethyl-1,3-dioxolane
SpectraBase Compound ID 75FiUEbNWky
InChI InChI=1S/C16H17BrO3/c1-9-16(20-10(2)19-9)13-8-14(18-3)11-6-4-5-7-12(11)15(13)17/h4-10,16H,1-3H3/t9-,10-,16-/m1/s1
InChIKey XAGUQUCQOQLAHV-XIZWVBILSA-N
Mol Weight 337.21 g/mol
Molecular Formula C16H17BrO3
Exact Mass 336.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IXc9e2jWy
Name Rel-(2R,4S,5R)-4-(1'-Bromo-4'-methoxynaphthalen-2'-yl)-2,5-dimethyl-1,3-dioxolane
Appearance Yellow oil
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Formula C16H17BrO3
InChI InChI=1S/C16H17BrO3/c1-9-16(20-10(2)19-9)13-8-14(18-3)11-6-4-5-7-12(11)15(13)17/h4-10,16H,1-3H3/t9-,10-,16-/m1/s1
InChIKey XAGUQUCQOQLAHV-XIZWVBILSA-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 337.213 g/mol
SMILES COc1c2ccccc2c(c(c1)[C@@]1(O[C@@](O[C@@]1(C)[H])(C)[H])[H])Br
SPLASH splash10-02ti-0893000000-ea099175b601b3e535da
Source of Spectrum ARK-2004-148-8
Wiley ID 1875846