For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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
Parent InChIKey FCVLMWGBRIRGLJ-OCFLFPRFSA-M
Enantiomer InChIKey IUBVMJHASFBYGW-IABVVHMRSA-M
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent D2O
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Technique KBr WAFER
  • beta-D-1-THIOGLUCOPYRANOSE, 1-(3-BUTENOHYDROXIMATE)NO-(HYDROGENSULFATE)MONOPOTASSIUM SALT, MONOHYDRATE
  • SINIGRIN MONOHYDRATE
  • GLUCOPYRANOSE, B-D-1-THIO-, 1- /3-BUTENOHYDROXIMATE/, NO-/HYDROGENSULFATE/, MONOPOTASSIUM SALT, MONO- HYDRATE
  • ALLYL GLUCOSINOLATE, MONOHYDRATE
  • 1-THIO-beta-D-GLUCOPYRANOSE, 1-(N-(SULFOOXY)-3-BUTENIMIDATE), MONOPOTASSIUM SALT, MONOHYDRATE

KnowItAll IR, Raman, and UV-Vis Spectral Libraries

Author: Wiley

The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.