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5-(2',3',4'-Tri-O-acetyl-.beta.-D-xylopyranosyl-thio)-4-chloro-1,2-dithiol-3-thione
SpectraBase Compound ID Gjde8rGk14d
InChI InChI=1S/C14H15ClO7S4/c1-5(16)20-8-4-19-12(24-14-9(15)13(23)25-26-14)11(22-7(3)18)10(8)21-6(2)17/h8,10-12H,4H2,1-3H3/t8-,10+,11-,12+/m1/s1
InChIKey QLQPIXSZUQWHOY-KLHWPWHYSA-N
Mol Weight 459.0 g/mol
Molecular Formula C14H15ClO7S4
Exact Mass 457.938915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZRbFeHTvNG
Name 5-(2',3',4'-Tri-O-acetyl-.beta.-D-xylopyranosyl-thio)-4-chloro-1,2-dithiol-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15ClO7S4
InChI InChI=1S/C14H15ClO7S4/c1-5(16)20-8-4-19-12(24-14-9(15)13(23)25-26-14)11(22-7(3)18)10(8)21-6(2)17/h8,10-12H,4H2,1-3H3/t8-,10+,11-,12+/m1/s1
InChIKey QLQPIXSZUQWHOY-KLHWPWHYSA-N
Instrument Name AMD-604S??
Ionization Type EI
Molecular Weight 458.960 g/mol
Optical Rotation [a]D20 = -31.4 (c = 0.2, CHCl3)
SMILES [C@]1([C@@]([C@]([C@](SC=2SSC(=S)C2Cl)(OC1)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-052g-9520000000-d5e4d23c4fb5138d5b4b
Source of Spectrum RU2534525C9
Thin-Layer Chromatography Rf = 0.32
Wiley ID 1852784