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3,8-Dioxatricyclo[5.1.0.0(2,4)]octane, epi-inositol deriv.
SpectraBase Compound ID 3dpAvs7vPb2
InChI InChI=1S/C6H7BrO3/c7-1-2(8)4-6(10-4)5-3(1)9-5/h1-6,8H/t1-,2-,3+,4-,5+,6-/m0/s1
InChIKey LVCQLWWLDHWMCB-MGNGNCFRSA-N
Mol Weight 207.02 g/mol
Molecular Formula C6H7BrO3
Exact Mass 205.957857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5w98GrFqouI
Name 3,8-Dioxatricyclo[5.1.0.0(2,4)]octane, epi-inositol deriv.
CAS Registry Number 39573-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7BrO3
InChI InChI=1S/C6H7BrO3/c7-1-2(8)4-6(10-4)5-3(1)9-5/h1-6,8H/t1-,2-,3+,4-,5+,6-/m0/s1
InChIKey LVCQLWWLDHWMCB-MGNGNCFRSA-N
Molecular Weight 207.023 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@]([C@@]3([C@@]1([H])O3)[H])(O2)[H])[H])(Br)[H])[H]
SPLASH splash10-0081-7900000000-1b235f1308e9324e239f
Source of Spectrum K-112-3342-0
Synonyms epi-Inositol, 1,2:3,4-dianhydro-6-bromo-6-deoxy- (1S,2S,4S,5R,6S,7S)-6-bromo-3,8-dioxatricyclo[5.1.0.0(2,4)]octan-5-ol DL-6-bromo-(1.alpha.,2.alpha.,4.alpha.,5.beta.,6.alpha.,7.alpha.)-3,8-dioxatricyclo[5.1.0.0(2,4)]octan-5-ol
Wiley ID 1203728