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2,2'-o-isopropylidene-5-o-tosyl-.alpha.-d-isosaccharino-1,4-lactone
SpectraBase Compound ID 3UBl0870ZeQ
InChI InChI=1S/C16H20O7S/c1-11-4-6-13(7-5-11)24(18,19)21-9-12-8-16(14(17)22-12)10-20-15(2,3)23-16/h4-7,12H,8-10H2,1-3H3/t12-,16-/m0/s1
InChIKey NRSOLFAOFBFEDI-LRDDRELGSA-N
Mol Weight 356.39 g/mol
Molecular Formula C16H20O7S
Exact Mass 356.092974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrZTSI9DHul
Name 2,2'-o-isopropylidene-5-o-tosyl-.alpha.-d-isosaccharino-1,4-lactone
Alternate Name(s) [(5S,8S)-2,2-dimethyl-6-oxo-1,3,7-trioxaspiro[4.4]non-8-yl]methyl 4-methylbenzenesulfonate
CAS Registry Number 106267-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O7S
InChI InChI=1S/C16H20O7S/c1-11-4-6-13(7-5-11)24(18,19)21-9-12-8-16(14(17)22-12)10-20-15(2,3)23-16/h4-7,12H,8-10H2,1-3H3/t12-,16-/m0/s1
InChIKey NRSOLFAOFBFEDI-LRDDRELGSA-N
Molecular Weight 356.389 g/mol
SMILES [C@@]12(C(O[C@@](C2)(COS(c2ccc(cc2)C)(=O)=O)[H])=O)OC(C)(C)OC1
SPLASH splash10-0006-5809000000-adbd6bf9e2d9585f22c9
Source of Spectrum J-52-1054-7
Wiley ID 1345576