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1,6-Deoxy-3,4-methylethylidene-1,6-thio-D-mannitol
SpectraBase Compound ID HMShZjvAuH0
InChI InChI=1S/C9H16O4S/c1-9(2)12-7-5(10)3-14-4-6(11)8(7)13-9/h5-8,10-11H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey AMTZCFFTUVSCSK-WCTZXXKLSA-N
Mol Weight 220.28 g/mol
Molecular Formula C9H16O4S
Exact Mass 220.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3YTNxQNdxl
Name 1,6-Deoxy-3,4-methylethylidene-1,6-thio-D-mannitol
Alternate Name(s) 1,6-anhydro-3,4-O-(1-methylethylidene)-1-thio-D-mannitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4S
InChI InChI=1S/C9H16O4S/c1-9(2)12-7-5(10)3-14-4-6(11)8(7)13-9/h5-8,10-11H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey AMTZCFFTUVSCSK-WCTZXXKLSA-N
Molecular Weight 220.283 g/mol
SMILES O[C@]1([C@@]2([C@@]([C@@](CSC1)(O)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0ab9-9340000000-a144fe1ccfe17ea0cc30
Source of Spectrum F-53-16739-13
Wiley ID 804816