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(2R*, 3R*, 6S*)-6- bromomethyl-3-iodo-2-prenyloxy-tetrahydro-2H-pyran
SpectraBase Compound ID 63pK7PHIiWY
InChI InChI=1S/C11H18BrIO2/c1-8(2)5-6-14-11-10(13)4-3-9(7-12)15-11/h5,9-11H,3-4,6-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKey VTXYIHFMGUSQOE-HBNTYKKESA-N
Mol Weight 389.07 g/mol
Molecular Formula C11H18BrIO2
Exact Mass 387.953488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Br1FPDNRhBd
Name (2R*, 3R*, 6S*)-6- bromomethyl-3-iodo-2-prenyloxy-tetrahydro-2H-pyran
Appearance Colourless oil
Carrier Gas Helium (1.4 ml/min)
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Exact Mass 387.953487818 u
Formula C11H18BrIO2
GC Column Macherey-Nagel Optima delta-3 (20 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C11H18BrIO2/c1-8(2)5-6-14-11-10(13)4-3-9(7-12)15-11/h5,9-11H,3-4,6-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKey VTXYIHFMGUSQOE-HBNTYKKESA-N
Inlet Type Split
Instrument Name Finnigan Trace GC/MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201604950
Molecular Weight 389.071 g/mol
Quality 196
Reported Formula C11H18O2(79)BrI
SMILES C([C@]1(O[C@]([C@@](CC1)(I)[H])(OCC=C(C)C)[H])[H])Br
SPLASH splash10-014i-9101000000-a2bc61d5e03237cde18a
Sample Comments Minor
Source of Spectrum ACI-55-SM14-14-2 (DOI: 10.1002/anie.201604950)
Wiley ID 1899218