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5-Butyl-10,15,20-triphenylporphyrin
SpectraBase Compound ID 76jk7NLmB8E
InChI InChI=1S/C42H34N4/c1-2-3-19-31-32-20-22-34(43-32)40(28-13-7-4-8-14-28)36-24-26-38(45-36)42(30-17-11-6-12-18-30)39-27-25-37(46-39)41(29-15-9-5-10-16-29)35-23-21-33(31)44-35/h4-18,20-27,43,46H,2-3,19H2,1H3/b32-31-,33-31-,40-34-,40-36-,41-35-,41-37-,42-38-,42-39-
InChIKey FROHLBPYTYQGCH-BFOVXXLESA-N
Mol Weight 594.8 g/mol
Molecular Formula C42H34N4
Exact Mass 594.278347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBO3FlROZ7d
Name 5-Butyl-10,15,20-triphenylporphyrin
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Formula C42H34N4
InChI InChI=1S/C42H34N4/c1-2-3-19-31-32-20-22-34(43-32)40(28-13-7-4-8-14-28)36-24-26-38(45-36)42(30-17-11-6-12-18-30)39-27-25-37(46-39)41(29-15-9-5-10-16-29)35-23-21-33(31)44-35/h4-18,20-27,43,46H,2-3,19H2,1H3/b32-31-,33-31-,40-34-,40-36-,41-35-,41-37-,42-38-,42-39-
InChIKey FROHLBPYTYQGCH-BFOVXXLESA-N
Molecular Weight 594.762 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)cc3)CCCC)cc1)-c1ccccc1
SPLASH splash10-0f6y-0000090000-9013028dd55066a5abe7
Source of Spectrum KC-0-3620-32
Synonyms 2-Butyl-7,12,17-triphenyl-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
Wiley ID 831927