1-thio-beta-D-glucopyranose, 1-(3-butenohydroximate), NO-(hydrogen sulfate), monopotassium salt, monohydrate
Compound with spectra: 2 NMR, and 1 FTIR
| 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
(-)-Sinigrin hydrate
1-S-[(1E)-N-Hydroxy-3-phenylpropanimidoyl]-1-thiohexopyranose
DESULFO-4-BENZOYLOXYBUTYL-GLUCOSINOLATE
cinnamaldehyde, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone
salicylaldehyde, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone
1,6-DIDEOXY-1,6-EPITHIO-BETA-D-GLUCOPYRANOSE-S,S-DIOXIDE
4-(CYClOHEXYLAMINO-1,6-EPITHIO-1,4,6-TRIDEOXY-BETA-D-GLUCOSE
METHYL-O-(BETA-D-GLUCOPYRANOSYL)-(1->3)-BETA-D-XYLOPYRANOSIDE
BETA-D-GLC-P-(1->4)-XYL-PA;PA-1
AOHADA-GLYCOSIDE-B;5-CAFFEOYLOXY-4-BETA-D-GLUCOPYRANOSYLOXY-PRENYL-ALCOHOL
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
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