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PJMMPPXVAATCFT-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

PJMMPPXVAATCFT-UHFFFAOYSA-N
SpectraBase Compound ID AdTNNavO7r1
InChI InChI=1S/C56H65N9/c1-51(2)37-19-13-31(57-37)49-32-14-21-39(58-32)53(5,6)45-27-29-47(64-45)55(9,10)41-23-17-35(61-41)50(34-16-20-38(60-34)52(3,4)44-26-25-43(51)63-44)36-18-24-42(62-36)56(11,12)48-30-28-46(65-48)54(7,8)40-22-15-33(49)59-40/h13-30,49-50,57-65H,1-12H3
InChIKey PJMMPPXVAATCFT-UHFFFAOYSA-N
Mol Weight 864.2 g/mol
Molecular Formula C56H65N9
Exact Mass 863.536293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUfGsarujxa
Name PJMMPPXVAATCFT-UHFFFAOYSA-N
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H65N9
InChI InChI=1S/C56H65N9/c1-51(2)37-19-13-31(57-37)49-32-14-21-39(58-32)53(5,6)45-27-29-47(64-45)55(9,10)41-23-17-35(61-41)50(34-16-20-38(60-34)52(3,4)44-26-25-43(51)63-44)36-18-24-42(62-36)56(11,12)48-30-28-46(65-48)54(7,8)40-22-15-33(49)59-40/h13-30,49-50,57-65H,1-12H3
InChIKey PJMMPPXVAATCFT-UHFFFAOYSA-N
Literature Reference Author C.BUCHER,R.S.ZIMMERMAN,V.LYNCH,J.L.SESSLER
Literature Reference Citation J.AM.CHEM.SOC.,123,9716(2001)
Literature Reference DOI 10.1021/ja016629z
Molecular Weight 864.192 g/mol
Solvent CD2Cl2
Source File Reference UWVN29839