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PER-6-CYANO-6-DEOXY-BETA-CYClODEXTRIN

View entire compound with spectra: 1 NMR

PER-6-CYANO-6-DEOXY-BETA-CYClODEXTRIN
SpectraBase Compound ID DS3A7tMHTsX
InChI InChI=1S/C49H63N7O28/c50-8-1-15-36-22(57)29(64)43(71-15)79-37-16(2-9-51)73-45(31(66)24(37)59)81-39-18(4-11-53)75-47(33(68)26(39)61)83-41-20(6-13-55)77-49(35(70)28(41)63)84-42-21(7-14-56)76-48(34(69)27(42)62)82-40-19(5-12-54)74-46(32(67)25(40)60)80-38-17(3-10-52)72-44(78-36)30(65)23(38)58/h15-49,57-70H,1-7H2
InChIKey PSWTXJBFSSTWIV-UHFFFAOYSA-N
Mol Weight 1198.1 g/mol
Molecular Formula C49H63N7O28
Exact Mass 1197.372104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BjuyeQubju2
Name PER-6-CYANO-6-DEOXY-BETA-CYClODEXTRIN
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H63N7O28
InChI InChI=1S/C49H63N7O28/c50-8-1-15-36-22(57)29(64)43(71-15)79-37-16(2-9-51)73-45(31(66)24(37)59)81-39-18(4-11-53)75-47(33(68)26(39)61)83-41-20(6-13-55)77-49(35(70)28(41)63)84-42-21(7-14-56)76-48(34(69)27(42)62)82-40-19(5-12-54)74-46(32(67)25(40)60)80-38-17(3-10-52)72-44(78-36)30(65)23(38)58/h15-49,57-70H,1-7H2
InChIKey PSWTXJBFSSTWIV-UHFFFAOYSA-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 1198.069 g/mol
Solvent DMSO-D6
Source File Reference UWSP792