MONO-[6-DEOXY-6-(1-1,2,3-TRIAZO-4-YL)-1-PROPANE-3-O-(PHENYL)]-BETA-CYCLODEXTRIN

SpectraBase Compound ID	JDxULrpfKve
InChI	InChI=1S/C53H81N3O35/c57-11-20-41-28(65)35(72)49(80-20)88-43-22(13-59)82-51(37(74)30(43)67)90-45-24(15-61)84-53(39(76)32(45)69)91-46-25(16-62)83-52(38(75)31(46)68)89-44-23(14-60)81-50(36(73)29(44)66)87-42-21(12-58)79-48(34(71)27(42)64)85-40-19(78-47(86-41)33(70)26(40)63)10-56-9-17(54-55-56)5-4-8-77-18-6-2-1-3-7-18/h1-3,6-7,9,19-53,57-76H,4-5,8,10-16H2/t19-,20+,21-,22-,23-,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38+,39+,40-,41+,42-,43-,44-,45+,46+,47+,48+,49-,50+,51+,52-,53-/m1/s1
InChIKey	FVUPNKVPZZZGMG-LATKJFBCSA-N Google Search
Mol Weight	1320.2 g/mol
Molecular Formula	C53H81N3O35
Exact Mass	1319.465061 g/mol

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SpectraBase Spectrum ID	1wMfODBa2mo
Name	MONO-[6-DEOXY-6-(1-1,2,3-TRIAZO-4-YL)-1-PROPANE-3-O-(PHENYL)]-BETA-CYCLODEXTRIN
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C53H81N3O35
InChI	InChI=1S/C53H81N3O35/c57-11-20-41-28(65)35(72)49(80-20)88-43-22(13-59)82-51(37(74)30(43)67)90-45-24(15-61)84-53(39(76)32(45)69)91-46-25(16-62)83-52(38(75)31(46)68)89-44-23(14-60)81-50(36(73)29(44)66)87-42-21(12-58)79-48(34(71)27(42)64)85-40-19(78-47(86-41)33(70)26(40)63)10-56-9-17(54-55-56)5-4-8-77-18-6-2-1-3-7-18/h1-3,6-7,9,19-53,57-76H,4-5,8,10-16H2/t19-,20+,21-,22-,23-,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38+,39+,40-,41+,42-,43-,44-,45+,46+,47+,48+,49-,50+,51+,52-,53-/m1/s1
InChIKey	FVUPNKVPZZZGMG-LATKJFBCSA-N
Literature Reference Author	M.MISIAK,W.KOZMINSKI,K.CHMURSKI,K.KAZIMIERCZUK
Literature Reference Citation	MAGN.RES.CHEM.,51,110(2013)
Molecular Weight	1320.225 g/mol
Solvent	DMSO-D6
Source File Reference	UWIR12829