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1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREA
SpectraBase Compound ID Hj5XG6ys5Kz
InChI InChI=1S/C21H24F6N2O13/c1-7(30)36-6-12-13(37-8(2)31)14(38-9(3)32)15(39-10(4)33)16(40-12)29-18(35)28-5-11-17(34)42-19(41-11,20(22,23)24)21(25,26)27/h11-16H,5-6H2,1-4H3,(H2,28,29,35)/t11-,12-,13-,14+,15-,16-/m1/s1
InChIKey DUUJJYUOOSRXER-YTQIUSBHSA-N
Mol Weight 626.41 g/mol
Molecular Formula C21H24F6N2O13
Exact Mass 626.118258 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 151xuPw4XXd
Name 1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREA
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24F6N2O13
InChI InChI=1S/C21H24F6N2O13/c1-7(30)36-6-12-13(37-8(2)31)14(38-9(3)32)15(39-10(4)33)16(40-12)29-18(35)28-5-11-17(34)42-19(41-11,20(22,23)24)21(25,26)27/h11-16H,5-6H2,1-4H3,(H2,28,29,35)/t11-,12-,13-,14+,15-,16-/m1/s1
InChIKey DUUJJYUOOSRXER-YTQIUSBHSA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,L.HENNIG,F.ALBERICIO,K.BURGER
Literature Reference Citation MH.CHEM.,136,577(2005)
Literature Reference DOI 10.1007/s00706-004-0248-9
Solvent CDCl3
Source File Reference UWSI23587