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N,N'-[BIS-(ADENOSIN-8-YL)]-DIAMINOPENTANE
SpectraBase Compound ID KoeU0hQDNAM
InChI InChI=1S/C25H36N12O8/c26-18-12-20(32-8-30-18)36(22-16(42)14(40)10(6-38)44-22)24(34-12)28-4-2-1-3-5-29-25-35-13-19(27)31-9-33-21(13)37(25)23-17(43)15(41)11(7-39)45-23/h8-11,14-17,22-23,38-43H,1-7H2,(H,28,34)(H,29,35)(H2,26,30,32)(H2,27,31,33)/t10-,11-,14-,15-,16-,17-,22-,23-/m0/s1
InChIKey AKXXEKJWWBGRQE-BOYMLEIYSA-N
Mol Weight 632.6 g/mol
Molecular Formula C25H36N12O8
Exact Mass 632.277906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JoplwcHIBV
Name N,N'-[BIS-(ADENOSIN-8-YL)]-DIAMINOPENTANE
Compound Number 2 C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36N12O8
InChI InChI=1S/C25H36N12O8/c26-18-12-20(32-8-30-18)36(22-16(42)14(40)10(6-38)44-22)24(34-12)28-4-2-1-3-5-29-25-35-13-19(27)31-9-33-21(13)37(25)23-17(43)15(41)11(7-39)45-23/h8-11,14-17,22-23,38-43H,1-7H2,(H,28,34)(H,29,35)(H2,26,30,32)(H2,27,31,33)/t10-,11-,14-,15-,16-,17-,22-,23-/m0/s1
InChIKey AKXXEKJWWBGRQE-BOYMLEIYSA-N
Literature Reference Author Y.A.MAURISH,K.SUJINO,H.TOGO,M.YOKOYAMA
Literature Reference Citation HETEROCYCLES,31,1089(1990)
Literature Reference DOI 10.3987/COM-90-5362
Molecular Weight 632.636 g/mol
Solvent DMSO-D6
Source File Reference UWMZ762