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6,13-BIS-(DODECYLAMINOMETHYLIDENE)-1,4,8,11-TETRAZACYCLOTETRADECA-4,7,11,14-TETRAENE-KAPPA-(4)-N-(1,4,8,11)-NICKEL-(II)-HEXAFLUOROPHOSPHATE

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6,13-BIS-(DODECYLAMINOMETHYLIDENE)-1,4,8,11-TETRAZACYCLOTETRADECA-4,7,11,14-TETRAENE-KAPPA-(4)-N-(1,4,8,11)-NICKEL-(II)-HEXAFLUOROPHOSPHATE
SpectraBase Compound ID 5tkZokJgICn
InChI InChI=1S/C36H66N6.2F6P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-37-29-35-31-39-25-27-41-33-36(34-42-28-26-40-32-35)30-38-24-22-20-18-16-14-12-10-8-6-4-2;2*1-7(2,3,4,5)6;/h29-34,37-38H,3-28H2,1-2H3;;;/q;2*-1;+2/b35-29-,36-30+,39-31?,40-32?,41-33?,42-34?;;;
InChIKey YJRRBAVFSRFFLP-FLCCBTJPSA-N
Mol Weight 931.58780196 g/mol
Molecular Formula C36H66F12N6NiP2
Exact Mass 930.3986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtppokeKpbs
Name 6,13-BIS-(DODECYLAMINOMETHYLIDENE)-1,4,8,11-TETRAZACYCLOTETRADECA-4,7,11,14-TETRAENE-KAPPA-(4)-N-(1,4,8,11)-NICKEL-(II)-HEXAFLUOROPHOSPHATE
Compound Number 3NI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H66F12N6NiP2
InChI InChI=1S/C36H66N6.2F6P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-37-29-35-31-39-25-27-41-33-36(34-42-28-26-40-32-35)30-38-24-22-20-18-16-14-12-10-8-6-4-2;2*1-7(2,3,4,5)6;/h29-34,37-38H,3-28H2,1-2H3;;;/q;2*-1;+2/b35-29-,36-30+,39-31?,40-32?,41-33?,42-34?;;;
InChIKey YJRRBAVFSRFFLP-FLCCBTJPSA-N
Literature Reference Author B.KORYBUT-DASZKIEWICZ,A.WIECKOWSKA,R.BILEWICZ,S.DOMAGALA,K.W OZNIAK
Literature Reference Citation J.AM.CHEM.SOC.,123,9356(2001)
Literature Reference DOI 10.1021/ja0108537
Molecular Weight 931.579 g/mol
Solvent CD3CN
Source File Reference UWVN29881