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2-Butyl-5,10,15,20-tetraphenylporphyrin
SpectraBase Compound ID 5TuEyLf7Yqa
InChI InChI=1S/C48H38N4/c1-2-3-16-36-31-43-46(34-21-12-6-13-22-34)41-28-27-39(50-41)44(32-17-8-4-9-18-32)37-25-26-38(49-37)45(33-19-10-5-11-20-33)40-29-30-42(51-40)47(48(36)52-43)35-23-14-7-15-24-35/h4-15,17-31,49,52H,2-3,16H2,1H3/b44-37-,44-39-,45-38-,45-40-,46-41-,46-43-,47-42-,48-47-
InChIKey ZCVWSNUYCSFDRD-DOCADPJRSA-N
Mol Weight 670.9 g/mol
Molecular Formula C48H38N4
Exact Mass 670.309647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nlM9dspfoP
Name 2-Butyl-5,10,15,20-tetraphenylporphyrin
Alternate Name(s) 4-Butyl-2,7,12,17-tetraphenyl-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 C48H38N4
InChI InChI=1S/C48H38N4/c1-2-3-16-36-31-43-46(34-21-12-6-13-22-34)41-28-27-39(50-41)44(32-17-8-4-9-18-32)37-25-26-38(49-37)45(33-19-10-5-11-20-33)40-29-30-42(51-40)47(48(36)52-43)35-23-14-7-15-24-35/h4-15,17-31,49,52H,2-3,16H2,1H3/b44-37-,44-39-,45-38-,45-40-,46-41-,46-43-,47-42-,48-47-
InChIKey ZCVWSNUYCSFDRD-DOCADPJRSA-N
Molecular Weight 670.860 g/mol
SMILES [nH]1c2c(cc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)cc3)-c2ccccc2)cc1)-c1ccccc1)CCCC
SPLASH splash10-00di-0000009000-be52cab1add50c63efaf
Source of Spectrum J-59-4437-17
Wiley ID 1413929