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[(4S,7S)-2,2-diketo-7-methylol-1,3,2-dioxathiepan-4-yl]methanol

View entire compound with spectra: 1 MS (GC)

[(4S,7S)-2,2-diketo-7-methylol-1,3,2-dioxathiepan-4-yl]methanol
SpectraBase Compound ID 5hqjdTXz2O4
InChI InChI=1S/C6H12O6S/c7-3-5-1-2-6(4-8)12-13(9,10)11-5/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKey IJEGBNWUGAXYIE-WDSKDSINSA-N
Mol Weight 212.22 g/mol
Molecular Formula C6H12O6S
Exact Mass 212.035459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12mJi5C3OAA
Name [(4S,7S)-2,2-diketo-7-methylol-1,3,2-dioxathiepan-4-yl]methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O6S
InChI InChI=1S/C6H12O6S/c7-3-5-1-2-6(4-8)12-13(9,10)11-5/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKey IJEGBNWUGAXYIE-WDSKDSINSA-N
Molecular Weight 212.216 g/mol
SMILES OC[C@]1(OS(O[C@](CO)(CC1)[H])(=O)=O)[H]
SPLASH splash10-052r-9000000000-1965ca0e7652d5e0a42e
Source of Spectrum U1-2001-4622-12
Synonyms [(4S,7S)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-1,3,2-dioxathiepan-4-yl]methanol [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol
Wiley ID 815196