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3,4,6-Tri-O-acetyl-2-deoxy-.beta.-D-arabinohexopyranosyl isothiocyanate
SpectraBase Compound ID BHSyypsqigH
InChI InChI=1S/C13H17NO7S/c1-7(15)18-5-11-13(20-9(3)17)10(19-8(2)16)4-12(21-11)14-6-22/h10-13H,4-5H2,1-3H3/t10-,11-,12+,13+/m1/s1
InChIKey KPNJYJJYNKJFRV-NDBYEHHHSA-N
Mol Weight 331.34 g/mol
Molecular Formula C13H17NO7S
Exact Mass 331.072573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BC0XriXkanU
Name 3,4,6-Tri-O-acetyl-2-deoxy-.beta.-D-arabinohexopyranosyl isothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO7S
InChI InChI=1S/C13H17NO7S/c1-7(15)18-5-11-13(20-9(3)17)10(19-8(2)16)4-12(21-11)14-6-22/h10-13H,4-5H2,1-3H3/t10-,11-,12+,13+/m1/s1
InChIKey KPNJYJJYNKJFRV-NDBYEHHHSA-N
Molecular Weight 331.339 g/mol
SMILES [C@]1([C@@](C[C@](O[C@@]1(COC(=O)C)[H])(N=C=S)[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-03dj-9720000000-7eb6916a6b4a0e099b8c
Source of Spectrum F-47-5803-3
Synonyms 3,4,6-tri-O-acetyl-2-deoxy-N-(thioxomethylene)-.alpha.-D-arabino-hexopyranosylamine
Wiley ID 1328497