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4-ETHYL-3-[[6-ETHYL-3-[2-(PARA-TOLYL)-1-DIAZENYL]-HEXAHYDRO-1-PYRIMIDINYL]-METHYL]-1-[2-(PARA-TOLYL)-1-DIAZENYL]-HEXAHYDROPYRIMIDINE
SpectraBase Compound ID L4Hw5sSd3NO
InChI InChI=1S/2C27H40N8/c2*1-5-26-15-17-34(30-28-24-11-7-22(3)8-12-24)20-32(26)19-33-21-35(18-16-27(33)6-2)31-29-25-13-9-23(4)10-14-25/h2*7-14,26-27H,5-6,15-21H2,1-4H3/b2*30-28+,31-29+
InChIKey CZJSUOOSNOTWNZ-ACBOFFBCSA-N
Mol Weight 953.3 g/mol
Molecular Formula C54H80N16
Exact Mass 952.675187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMYiDJFKJdz
Name 4-ETHYL-3-[[6-ETHYL-3-[2-(PARA-TOLYL)-1-DIAZENYL]-HEXAHYDRO-1-PYRIMIDINYL]-METHYL]-1-[2-(PARA-TOLYL)-1-DIAZENYL]-HEXAHYDROPYRIMIDINE
Compound Number 1I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H80N16
InChI InChI=1S/2C27H40N8/c2*1-5-26-15-17-34(30-28-24-11-7-22(3)8-12-24)20-32(26)19-33-21-35(18-16-27(33)6-2)31-29-25-13-9-23(4)10-14-25/h2*7-14,26-27H,5-6,15-21H2,1-4H3/b2*30-28+,31-29+
InChIKey CZJSUOOSNOTWNZ-ACBOFFBCSA-N
Literature Reference Author R.TINGLEY,M.B.PEORI,R.CHURCH,K.VAUGHAN
Literature Reference Citation CAN.J.CHEM.,83,1799(2005)
Literature Reference DOI 10.1139/v05-192
Molecular Weight 953.336 g/mol
Solvent CDCl3
Source File Reference UWLU30310