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3,4,5-Tri-O-acetyl-2,6-anhydro-D-gulonothioamide
SpectraBase Compound ID FZ10JjtJleI
InChI InChI=1S/C12H17NO7S/c1-5(14)18-8-4-17-11(12(13)21)10(20-7(3)16)9(8)19-6(2)15/h8-11H,4H2,1-3H3,(H2,13,21)/t8-,9+,10+,11+/m0/s1
InChIKey FBEYFEYATGEZQS-LNFKQOIKSA-N
Mol Weight 319.33 g/mol
Molecular Formula C12H17NO7S
Exact Mass 319.072573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLwdxdcXp5Q
Name 3,4,5-Tri-O-acetyl-2,6-anhydro-D-gulonothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO7S
InChI InChI=1S/C12H17NO7S/c1-5(14)18-8-4-17-11(12(13)21)10(20-7(3)16)9(8)19-6(2)15/h8-11H,4H2,1-3H3,(H2,13,21)/t8-,9+,10+,11+/m0/s1
InChIKey FBEYFEYATGEZQS-LNFKQOIKSA-N
Molecular Weight 319.328 g/mol
SMILES NC([C@]1([C@@]([C@@]([C@@](OC(=O)C)(CO1)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])=S
SPLASH splash10-004m-9200000000-3e8900d2fbe17ed73c1c
Source of Spectrum F-47-5544-6
Synonyms (2R,3R,4R,5S)-4,5-bis(acetyloxy)-2-carbamothioyloxan-3-yl acetate
Wiley ID 1319164