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1-thio-beta-D-glucopyranose, 1-(3-butenohydroximate), NO-(hydrogen sulfate), monopotassium salt, monohydrate

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1-thio-beta-D-glucopyranose, 1-(3-butenohydroximate), NO-(hydrogen sulfate), monopotassium salt, monohydrate
SpectraBase Compound ID KB1X72E3l5A
InChI InChI=1S/C10H17NO9S2.K.H2O/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);;1H2/q;+1;/p-1/b11-6+;;/t5-,7-,8+,9-,10+;;/m1../s1
InChIKey IUBVMJHASFBYGW-WBMBWNLZSA-M
Mol Weight 415.47 g/mol
Molecular Formula C10H18KNO10S2
Exact Mass 415.00092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lvWmFYu5eK
Name beta-D-1-THIOGLUCOPYRANOSE, 1-(3-BUTENOHYDROXIMATE)NO-(HYDROGENSULFATE)MONOPOTASSIUM SALT, MONOHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16KNO9S2 H2O
InChI InChI=1S/C10H17NO9S2.K.H2O/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);;1H2/q;+1;/p-1/b11-6+;;/t5-,7-,8+,9-,10+;;/m1../s1
InChIKey IUBVMJHASFBYGW-WBMBWNLZSA-M
Melting Point 128C (dec.)
Molecular Weight 415.49
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms SINIGRIN, MONOHYDRATE GLUCOPYRANOSE, B-D-1-THIO-, 1- /3-BUTENOHYDROXIMATE/, NO-/HYDROGENSULFATE/, MONOPOTASSIUM SALT, MONO- HYDRATE