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6-O-Acetyl-1,5-anhydro-1-[(4-bromophenyl)sulfonyl]hexitol
SpectraBase Compound ID KIEewu2tYQd
InChI InChI=1S/C14H17BrO8S/c1-7(16)22-6-10-11(17)12(18)13(19)14(23-10)24(20,21)9-4-2-8(15)3-5-9/h2-5,10-14,17-19H,6H2,1H3/t10-,11-,12+,13-,14?/m1/s1
InChIKey VJMYSSQMLYOQEJ-RQICVUQASA-N
Mol Weight 425.25 g/mol
Molecular Formula C14H17BrO8S
Exact Mass 423.982752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzjK4SbaHsv
Name 6-O-Acetyl-1,5-anhydro-1-[(4-bromophenyl)sulfonyl]hexitol
CAS Registry Number 97832-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17BrO8S
InChI InChI=1S/C14H17BrO8S/c1-7(16)22-6-10-11(17)12(18)13(19)14(23-10)24(20,21)9-4-2-8(15)3-5-9/h2-5,10-14,17-19H,6H2,1H3/t10-,11-,12+,13-,14?/m1/s1
InChIKey VJMYSSQMLYOQEJ-RQICVUQASA-N
Molecular Weight 425.246 g/mol
SMILES O[C@@]1([C@](C(O[C@@]([C@]1(O)[H])(COC(C)=O)[H])S(=O)(=O)c1ccc(cc1)Br)(O)[H])[H]
SPLASH splash10-0006-9300000000-f3fc5d2ab779b5c4a9ef
Source of Spectrum NP-14-9186-0
Synonyms 6-O-Acetyl-1-[[4-bromophenyl]sulfonyl]-.beta.-d-glucoside 6-O-Acetyl-1-[[4-bromophenyl]thio]-.beta.-d-glucoside S,S-dioxide Acetic acid [6-(4-bromophenyl)sulfonyl-3,4,5-trihydroxy-2-oxanyl]methyl ester [6-(4-bromophenyl)sulfonyl-3,4,5-trihydroxyoxan-2-yl]methyl acetate [6-(4-bromophenyl)sulfonyl-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate [6-(4-bromophenyl)sulfonyl-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate
Wiley ID 1112107