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2,3,4-Tri-O-acetyl-.beta.D-glucopyranosyl isothiocyanate
SpectraBase Compound ID 6la4wjlB6jl
InChI InChI=1S/C13H17NO8S/c1-6(16)19-10-9(4-15)22-13(14-5-23)12(21-8(3)18)11(10)20-7(2)17/h9-13,15H,4H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey PEWSGCOGOYXOOX-UJPOAAIJSA-N
Mol Weight 347.34 g/mol
Molecular Formula C13H17NO8S
Exact Mass 347.067488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0qLaq8tx5l
Name 2,3,4-Tri-O-acetyl-.beta.D-glucopyranosyl isothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO8S
InChI InChI=1S/C13H17NO8S/c1-6(16)19-10-9(4-15)22-13(14-5-23)12(21-8(3)18)11(10)20-7(2)17/h9-13,15H,4H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey PEWSGCOGOYXOOX-UJPOAAIJSA-N
Molecular Weight 347.338 g/mol
SMILES OC[C@]1(O[C@]([C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(N=C=S)[H])[H]
SPLASH splash10-0006-9400000000-2d86bafaa799485a82c6
Source of Spectrum F-48-6419-3
Synonyms 2,3,4-tri-O-acetyl-N-(thioxomethylene)hexopyranosylamine
Wiley ID 1339848