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5,10,15,20-Tetra(2-methylpropyl)bacteriochlorin
SpectraBase Compound ID B2IadXnNqCW
InChI InChI=1S/C36H50N4/c1-21(2)17-25-29-9-11-31(37-29)26(18-22(3)4)33-13-15-35(39-33)28(20-24(7)8)36-16-14-34(40-36)27(19-23(5)6)32-12-10-30(25)38-32/h9,11,14,16,21-24,37,40H,10,12-13,15,17-20H2,1-8H3/b29-25-,30-25-,31-26-,32-27-,33-26-,34-27-,35-28-,36-28-
InChIKey BIPPLOAHKMNIIS-ZZPYRCORSA-N
Mol Weight 538.8 g/mol
Molecular Formula C36H50N4
Exact Mass 538.403548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WVRijiIwoE
Name 5,10,15,20-Tetra(2-methylpropyl)bacteriochlorin
Alternate Name(s) 2,7,12,17-tetraisobutyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaene
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Formula C36H50N4
InChI InChI=1S/C36H50N4/c1-21(2)17-25-29-9-11-31(37-29)26(18-22(3)4)33-13-15-35(39-33)28(20-24(7)8)36-16-14-34(40-36)27(19-23(5)6)32-12-10-30(25)38-32/h9,11,14,16,21-24,37,40H,10,12-13,15,17-20H2,1-8H3/b29-25-,30-25-,31-26-,32-27-,33-26-,34-27-,35-28-,36-28-
InChIKey BIPPLOAHKMNIIS-ZZPYRCORSA-N
Molecular Weight 538.824 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3ccc(c(c4nc(c2CC(C)C)CC4)CC(C)C)[nH]3)CC(C)C)CC1)CC(C)C
SPLASH splash10-000i-0000290000-a7f4f4704a7bd85ef07f
Source of Spectrum F-54-3793-27
Wiley ID 806392