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2-Hydroxy-2-phenyl-ethyl glucosinolate

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2-Hydroxy-2-phenyl-ethyl glucosinolate
SpectraBase Compound ID 2OZrhT9Ii4A
InChI InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9?,10-,12-,13+,14-,15+/m1/s1
InChIKey GAPDDBFHNYHZIS-NTHVSVIGSA-N
Mol Weight 439.45 g/mol
Molecular Formula C15H21NO10S2
Exact Mass 439.060688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ahHSyz8AH0
Name 2-Hydroxy-2-phenyl-ethyl glucosinolate
CAS Registry Number 37913-31-8
Comments POTASSIUM SALT, REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H21NO10S2
InChI InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9?,10-,12-,13+,14-,15+/m1/s1
InChIKey GAPDDBFHNYHZIS-NTHVSVIGSA-N
Literature Reference O. Olsen, H. Sorensen, Phytochem. 18, 1547 (1979).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O