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5,10,15,20-Tetra(n-butyl)bacteriochlorin
SpectraBase Compound ID KsCqb3hM3s6
InChI InChI=1S/C36H50N4/c1-5-9-13-25-29-17-19-31(37-29)26(14-10-6-2)33-21-23-35(39-33)28(16-12-8-4)36-24-22-34(40-36)27(15-11-7-3)32-20-18-30(25)38-32/h17,19,22,24,37,40H,5-16,18,20-21,23H2,1-4H3/b29-25-,30-25-,31-26-,32-27-,33-26-,34-27-,35-28-,36-28-
InChIKey OFXMQBACCFXZQB-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 GOIeQYYwbuq
Name 5,10,15,20-Tetra(n-butyl)bacteriochlorin
Alternate Name(s) 2,7,12,17-tetrabutyl-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/c1-5-9-13-25-29-17-19-31(37-29)26(14-10-6-2)33-21-23-35(39-33)28(16-12-8-4)36-24-22-34(40-36)27(15-11-7-3)32-20-18-30(25)38-32/h17,19,22,24,37,40H,5-16,18,20-21,23H2,1-4H3/b29-25-,30-25-,31-26-,32-27-,33-26-,34-27-,35-28-,36-28-
InChIKey OFXMQBACCFXZQB-ZZPYRCORSA-N
Molecular Weight 538.824 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2CCCC)CC4)CCCC)cc3)CCCC)CC1)CCCC
SPLASH splash10-000i-0000190000-950cc7c89d4b18024293
Source of Spectrum F-54-3793-25
Wiley ID 806393