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5,11,17,23-TETRANITRO-25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-CALIX-[4]-ARENE
SpectraBase Compound ID 7gy698DJfN5
InChI InChI=1S/C72H96N4O22/c1-3-85-13-19-93-67-55-31-59-39-65(75(81)82)41-61(69(59)95-21-15-89-9-5-87-7-11-91-17-23-97-71-43-49-25-50(44-71)27-51(26-49)45-71)33-57-37-64(74(79)80)38-58(68(57)94-20-14-86-4-2)34-62-42-66(76(83)84)40-60(32-56(67)36-63(35-55)73(77)78)70(62)96-22-16-90-10-6-88-8-12-92-18-24-98-72-46-52-28-53(47-72)30-54(29-52)48-72/h35-42,49-54H,3-34,43-48H2,1-2H3/t49-,50+,51-,52-,53+,54-,71-,72-
InChIKey JZVPWZRQDKRXOD-VIDDPIQUSA-N
Mol Weight 1369.6 g/mol
Molecular Formula C72H96N4O22
Exact Mass 1368.651621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZDKbMruLEC
Name 5,11,17,23-TETRANITRO-25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-CALIX-[4]-ARENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H96N4O22
InChI InChI=1S/C72H96N4O22/c1-3-85-13-19-93-67-55-31-59-39-65(75(81)82)41-61(69(59)95-21-15-89-9-5-87-7-11-91-17-23-97-71-43-49-25-50(44-71)27-51(26-49)45-71)33-57-37-64(74(79)80)38-58(68(57)94-20-14-86-4-2)34-62-42-66(76(83)84)40-60(32-56(67)36-63(35-55)73(77)78)70(62)96-22-16-90-10-6-88-8-12-92-18-24-98-72-46-52-28-53(47-72)30-54(29-52)48-72/h35-42,49-54H,3-34,43-48H2,1-2H3/t49-,50+,51-,52-,53+,54-,71-,72-
InChIKey JZVPWZRQDKRXOD-VIDDPIQUSA-N
Literature Reference Author A.MULDER,T.AULETTA,A.SARTORI,S.DELCIOTTO,A.CASNATI,R.UNGARO, J.HUSKENS,D.N.REINHO
Literature Reference Citation J.AM.CHEM.SOC.,126,6627(2004)
Literature Reference DOI 10.1021/ja0317168
Molecular Weight 1369.568 g/mol
Solvent CDCl3
Source File Reference UWMZ24509