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1,2:5,6-Di-O isopropylidene-.alpha.,D-allofuranose (R)-2-(4-Bromophenyl)-1-phenylethanesulfonate
SpectraBase Compound ID I0BX3xGE2Vk
InChI InChI=1S/C26H31BrO8S/c1-25(2)30-15-19(32-25)21-22(23-24(31-21)34-26(3,4)33-23)35-36(28,29)20(17-8-6-5-7-9-17)14-16-10-12-18(27)13-11-16/h5-13,19-24H,14-15H2,1-4H3/t19-,20-,21-,22-,23-,24-/m1/s1
InChIKey AEBUGTPBNDPWII-TZNXUKFXSA-N
Mol Weight 583.49 g/mol
Molecular Formula C26H31BrO8S
Exact Mass 582.092302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiBc1xMidMZ
Name 1,2:5,6-Di-O isopropylidene-.alpha.,D-allofuranose (R)-2-(4-Bromophenyl)-1-phenylethanesulfonate
Alternate Name(s) (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl (1R)-2-(4-bromophenyl)-1-phenylethane-1-sulfonate
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Formula C26H31BrO8S
InChI InChI=1S/C26H31BrO8S/c1-25(2)30-15-19(32-25)21-22(23-24(31-21)34-26(3,4)33-23)35-36(28,29)20(17-8-6-5-7-9-17)14-16-10-12-18(27)13-11-16/h5-13,19-24H,14-15H2,1-4H3/t19-,20-,21-,22-,23-,24-/m1/s1
InChIKey AEBUGTPBNDPWII-TZNXUKFXSA-N
Molecular Weight 583.490 g/mol
SMILES [C@@]1(OS([C@](Cc2ccc(cc2)Br)(c2ccccc2)[H])(=O)=O)([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H]
SPLASH splash10-07vi-0780090000-42227ee4802ba91f750b
Source of Spectrum KC-61-3240-20
Wiley ID 1628335