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DL-epi-Inositol, 1,2-anhydro-6-bromo-3,4,6-trideoxy-4-[(phenylsulfonyl)amino]-
SpectraBase Compound ID BeBP4TiXRmJ
InChI InChI=1S/C12H14BrNO4S/c13-10-11(15)8(6-9-12(10)18-9)14-19(16,17)7-4-2-1-3-5-7/h1-5,8-12,14-15H,6H2/t8-,9+,10+,11+,12-/m0/s1
InChIKey RVVCDRZKSODEFG-KQSJRHEJSA-N
Mol Weight 348.21 g/mol
Molecular Formula C12H14BrNO4S
Exact Mass 346.982692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJQVFH1Kyb2
Name DL-epi-Inositol, 1,2-anhydro-6-bromo-3,4,6-trideoxy-4-[(phenylsulfonyl)amino]-
CAS Registry Number 87160-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrNO4S
InChI InChI=1S/C12H14BrNO4S/c13-10-11(15)8(6-9-12(10)18-9)14-19(16,17)7-4-2-1-3-5-7/h1-5,8-12,14-15H,6H2/t8-,9+,10+,11+,12-/m0/s1
InChIKey RVVCDRZKSODEFG-KQSJRHEJSA-N
Molecular Weight 348.211 g/mol
SMILES O[C@@]1([C@](C[C@]2(O[C@@]2([C@@]1(Br)[H])[H])[H])(NS(=O)(=O)c1ccccc1)[H])[H]
SPLASH splash10-004i-9320000000-1665cf14022318ebc700
Source of Spectrum K-116-2512-0
Synonyms 7-Oxabicyclo[4.1.0]heptane, DL-epi-inositol deriv. DL-(1.alpha.,2.alpha.,3.beta.,4.beta.,6.alpha.)-2-bromo-4-[(phenylsulfonyl)amino]-7-oxabicyclo[4.1.0]heptan-3-ol N-[(1R,3S,4R,5R,6S)-5-bromo-4-hydroxy-7-oxabicyclo[4.1.0]hept-3-yl]benzenesulfonamide
Wiley ID 1339842