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2-(A-L-Arabinosyloxy)-2-phenylethyl-glucosinolate
SpectraBase Compound ID IF7Ms3xUnnZ
InChI InChI=1S/C20H29NO14S2/c22-7-12-15(25)16(26)18(28)20(34-12)36-13(21-35-37(29,30)31)6-11(9-4-2-1-3-5-9)33-19-17(27)14(24)10(23)8-32-19/h1-5,10-12,14-20,22-28H,6-8H2,(H,29,30,31)/b21-13-/t10-,11?,12-,14-,15-,16+,17+,18-,19-,20+/m0/s1
InChIKey TZJUOXNQZNCHSG-KAFFKLRESA-N
Mol Weight 571.57 g/mol
Molecular Formula C20H29NO14S2
Exact Mass 571.102947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAAxAuRPPOJ
Name 2-(A-L-Arabinosyloxy)-2-phenylethyl-glucosinolate
CAS Registry Number 80754-95-6
Comments potassium salt
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Formula C20H29NO14S2
InChI InChI=1S/C20H29NO14S2/c22-7-12-15(25)16(26)18(28)20(34-12)36-13(21-35-37(29,30)31)6-11(9-4-2-1-3-5-9)33-19-17(27)14(24)10(23)8-32-19/h1-5,10-12,14-20,22-28H,6-8H2,(H,29,30,31)/b21-13-/t10-,11?,12-,14-,15-,16+,17+,18-,19-,20+/m0/s1
InChIKey TZJUOXNQZNCHSG-KAFFKLRESA-N
Literature Reference O. Olsen, K. Rasmussen, Phytochem. 20, 1857 (1981).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O