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PER-6-[(N,N-DIMETHYL-(2-AMINOETHYL)-AMINO]-6-DEOXY-ALPHA-CYClODEXTRIN
SpectraBase Compound ID DCg3BAQgXFG
InChI InChI=1S/C70H140N14O28/c1-78(2)22-15-71-29-36-57-43(85)50(92)64(99-36)107-58-37(30-72-16-23-79(3)4)101-66(52(94)45(58)87)109-60-39(32-74-18-25-81(7)8)103-68(54(96)47(60)89)111-62-41(34-76-20-27-83(11)12)105-70(56(98)49(62)91)112-63-42(35-77-21-28-84(13)14)104-69(55(97)48(63)90)110-61-40(33-75-19-26-82(9)10)102-67(53(95)46(61)88)108-59-38(31-73-17-24-80(5)6)100-65(106-57)51(93)44(59)86/h36-77,85-98H,15-35H2,1-14H3/t36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47-,48+,49-,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69-,70+/m0/s1
InChIKey JLNQNEICLQEXLZ-QVMWTCHASA-N
Mol Weight 1626.0 g/mol
Molecular Formula C70H140N14O28
Exact Mass 1624.99615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKKZ1o6OUVt
Name PER-6-[(N,N-DIMETHYL-(2-AMINOETHYL)-AMINO]-6-DEOXY-ALPHA-CYClODEXTRIN
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H140N14O28
InChI InChI=1S/C70H140N14O28/c1-78(2)22-15-71-29-36-57-43(85)50(92)64(99-36)107-58-37(30-72-16-23-79(3)4)101-66(52(94)45(58)87)109-60-39(32-74-18-25-81(7)8)103-68(54(96)47(60)89)111-62-41(34-76-20-27-83(11)12)105-70(56(98)49(62)91)112-63-42(35-77-21-28-84(13)14)104-69(55(97)48(63)90)110-61-40(33-75-19-26-82(9)10)102-67(53(95)46(61)88)108-59-38(31-73-17-24-80(5)6)100-65(106-57)51(93)44(59)86/h36-77,85-98H,15-35H2,1-14H3/t36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47-,48+,49-,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69-,70+/m0/s1
InChIKey JLNQNEICLQEXLZ-QVMWTCHASA-N
Literature Reference Author D.VIZITIU,C.S.WALKINSHAW,B.I.GORIN,G.R.J.THATCHER
Literature Reference Citation J.ORG.CHEM.,62,8760(1997)
Literature Reference DOI 10.1021/jo9711549
Molecular Weight 1625.959 g/mol
Solvent D2O
Source File Reference UWSP784