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2,12-Dibromo-6,7,8,9,16,17-hexahydro-5H-dibenzo[f,m][1,4,8,12]tetraazacyclopentadecinatonickel (II)
SpectraBase Compound ID LXe0nlxkzsb
InChI InChI=1S/C19H18Br2N4.Ni/c20-16-2-4-18-14(10-16)12-22-8-9-23-13-15-11-17(21)3-5-19(15)25-7-1-6-24-18;/h2-5,10-13H,1,6-9H2;/q-2;+4/b22-12+,23-13+;
InChIKey DHFWFEIXGOHJOY-HPUGBGFMSA-N
Mol Weight 520.88 g/mol
Molecular Formula C19H18Br2N4Ni
Exact Mass 517.925165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cno7trtLjyT
Name 2,12-Dibromo-6,7,8,9,16,17-hexahydro-5H-dibenzo[f,m][1,4,8,12]tetraazacyclopentadecinatonickel (II)
CAS Registry Number 59448-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18Br2N4Ni
InChI InChI=1S/C19H18Br2N4.Ni/c20-16-2-4-18-14(10-16)12-22-8-9-23-13-15-11-17(21)3-5-19(15)25-7-1-6-24-18;/h2-5,10-13H,1,6-9H2;/q-2;+4/b22-12+,23-13+;
InChIKey DHFWFEIXGOHJOY-HPUGBGFMSA-N
Molecular Weight 520.882 g/mol
SMILES C=1c2c(ccc(c2)Br)N2[Ni+2]34[N](=Cc5c(N4CCC2)ccc(c5)Br)CC[N]13
SPLASH splash10-00di-3110190000-89f447d439acdbc3e89a
Source of Spectrum B-30-2508-0
Synonyms Nickel, [2,12-dibromo-6,7,8,9,16,17-hexahydro-5H-dibenzo[f,m][1,4,8,12]tetraa zacyclopentadecinato(2-)-N5,N9,N15,N18]-, (SP-4-2)- 2,12-Dibromo-6,7,8,15,16,17-hexahydro-5H-dibenzo[f,m][1,4,8,12]tetraazacyclohexadecinatonickel(II) 5,17-dibromo-1,9,13,21-tetraaza-24-nickelahexacyclo[11.10.1.0(3,8).0(9,24).0(14,19).0(21,24)]tetracosa-1,3(8),4,6,14(19),15,17,20-octaene-24,24-bis(ylium) 5H-Dibenzo[f,m][1,4,8,12]tetraazacyclopentadecine, 2,12-dibromo-6,7,8,9,16,17-hexahydro-, nickel complex
Wiley ID 1401609