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2-[2',3',5'-tris-( O-Benzyl)-.beta.-D-ribofuranosyl]-4-(dimethylamino)-3,6-bis(trifluoromethyl)pyridine
SpectraBase Compound ID 2LOO9SqQCZx
InChI InChI=1S/C35H34F6N2O4/c1-43(2)26-18-28(34(36,37)38)42-30(29(26)35(39,40)41)32-33(46-21-25-16-10-5-11-17-25)31(45-20-24-14-8-4-9-15-24)27(47-32)22-44-19-23-12-6-3-7-13-23/h3-18,27,31-33H,19-22H2,1-2H3/t27-,31-,32+,33-/m1/s1
InChIKey XBUOXEANYRAKGE-YBLJPNGSSA-N
Mol Weight 660.7 g/mol
Molecular Formula C35H34F6N2O4
Exact Mass 660.242277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVri42EEzud
Name 2-[2',3',5'-tris-( O-Benzyl)-.beta.-D-ribofuranosyl]-4-(dimethylamino)-3,6-bis(trifluoromethyl)pyridine
Alternate Name(s) 1,4-anhydro-2,3,5-tri-O-benzyl-1-[4-(dimethylamino)-3,6-bis(trifluoromethyl)-2-pyridinyl]pentitol
Comments Less than 3 mono-isotopic peaks
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Formula C35H34F6N2O4
InChI InChI=1S/C35H34F6N2O4/c1-43(2)26-18-28(34(36,37)38)42-30(29(26)35(39,40)41)32-33(46-21-25-16-10-5-11-17-25)31(45-20-24-14-8-4-9-15-24)27(47-32)22-44-19-23-12-6-3-7-13-23/h3-18,27,31-33H,19-22H2,1-2H3/t27-,31-,32+,33-/m1/s1
InChIKey XBUOXEANYRAKGE-YBLJPNGSSA-N
Molecular Weight 660.657 g/mol
SMILES c1(c([C@]2([C@@]([C@](OCc3ccccc3)([C@](O2)(COCc2ccccc2)[H])[H])(OCc2ccccc2)[H])[H])nc(cc1N(C)C)C(F)(F)F)C(F)(F)F
SPLASH splash10-014i-0000090000-72c97cd39cb956acba5d
Source of Spectrum D8-328-178-15
Wiley ID 1515717