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5-(.beta.-D-glucopyranosyl-thio)-4-chloro-1,2-dithiol-3-one
SpectraBase Compound ID IrSiW1Uho4y
InChI InChI=1S/C9H11ClO6S3/c10-3-7(15)18-19-9(3)17-8-6(14)5(13)4(12)2(1-11)16-8/h2,4-6,8,11-14H,1H2/t2-,4-,5+,6-,8+/m1/s1
InChIKey QHYRWLSSXHLWEM-OYPMLREMSA-N
Mol Weight 346.81 g/mol
Molecular Formula C9H11ClO6S3
Exact Mass 345.940629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r0zKXcHWa8
Name 5-(.beta.-D-glucopyranosyl-thio)-4-chloro-1,2-dithiol-3-one
Appearance Dark yellow crystals
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Formula C9H11ClO6S3
InChI InChI=1S/C9H11ClO6S3/c10-3-7(15)18-19-9(3)17-8-6(14)5(13)4(12)2(1-11)16-8/h2,4-6,8,11-14H,1H2/t2-,4-,5+,6-,8+/m1/s1
InChIKey QHYRWLSSXHLWEM-OYPMLREMSA-N
Instrument Name AMD-604S??
Ionization Type EI
Molecular Weight 346.814 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(SC1=C(C(SS1)=O)Cl)[H])(CO)[H])[H]
SPLASH splash10-0006-9300000000-b4e94d74eb33ad1d7490
Source of Spectrum RU2534525C9
Wiley ID 1852787