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5-Hexyl-15-pentyl-10,20-diphenylporphyrin
SpectraBase Compound ID 3NoetbXDbQF
InChI InChI=1S/C43H44N4/c1-3-5-7-15-21-33-36-24-28-40(46-36)42(30-16-11-8-12-17-30)38-26-22-34(44-38)32(20-10-6-4-2)35-23-27-39(45-35)43(31-18-13-9-14-19-31)41-29-25-37(33)47-41/h8-9,11-14,16-19,22-29,44,47H,3-7,10,15,20-21H2,1-2H3/b34-32-,35-32-,36-33-,37-33-,42-38-,42-40-,43-39-,43-41-
InChIKey VWUSTSGCLQHJPJ-CMNGFZSYSA-N
Mol Weight 616.9 g/mol
Molecular Formula C43H44N4
Exact Mass 616.356597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7q7WsBEg5CL
Name 5-Hexyl-15-pentyl-10,20-diphenylporphyrin
Alternate Name(s) 2-Hexyl-12-pentyl-7,17-diphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
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Formula C43H44N4
InChI InChI=1S/C43H44N4/c1-3-5-7-15-21-33-36-24-28-40(46-36)42(30-16-11-8-12-17-30)38-26-22-34(44-38)32(20-10-6-4-2)35-23-27-39(45-35)43(31-18-13-9-14-19-31)41-29-25-37(33)47-41/h8-9,11-14,16-19,22-29,44,47H,3-7,10,15,20-21H2,1-2H3/b34-32-,35-32-,36-33-,37-33-,42-38-,42-40-,43-39-,43-41-
InChIKey VWUSTSGCLQHJPJ-CMNGFZSYSA-N
Molecular Weight 616.853 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2CCCCC)cc4)-c2ccccc2)cc3)CCCCCC)cc1)-c1ccccc1
SPLASH splash10-0a4s-0003693000-fac465ea3cc12c76b4f2
Source of Spectrum O1-65-2445-9
Wiley ID 1593257