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3,4,5-Tri-O-acetyl-2,6-anhydro-L-mannonothioamide
SpectraBase Compound ID EaMqhMJvl6o
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-/m1/s1
InChIKey FBEYFEYATGEZQS-GWOFURMSSA-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 HssX2uTQC5f
Name 3,4,5-Tri-O-acetyl-2,6-anhydro-L-mannonothioamide
Alternate Name(s) (2R,3R,4R,5R)-4,5-bis(acetyloxy)-2-carbamothioyloxan-3-yl acetate
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-/m1/s1
InChIKey FBEYFEYATGEZQS-GWOFURMSSA-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-9300000000-4bb40d2b9149d8cf3af6
Source of Spectrum F-47-5543-5
Wiley ID 1319163