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5,15-Dibutyl-2,3,7,8,12,13,17,18-octaethylporphyrin
SpectraBase Compound ID 3oc9dYBK3ZM
InChI InChI=1S/C44H62N4/c1-11-21-23-35-41-31(17-7)27(13-3)37(45-41)25-39-29(15-5)33(19-9)43(47-39)36(24-22-12-2)44-34(20-10)30(16-6)40(48-44)26-38-28(14-4)32(18-8)42(35)46-38/h25-26,45,48H,11-24H2,1-10H3/b37-25-,38-26-,39-25-,40-26-,41-35-,42-35-,43-36-,44-36-
InChIKey MOTOHPWRPPAKRD-MQSPLCOFSA-N
Mol Weight 647.0 g/mol
Molecular Formula C44H62N4
Exact Mass 646.497448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16WFh7hoy50
Name 5,15-Dibutyl-2,3,7,8,12,13,17,18-octaethylporphyrin
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Formula C44H62N4
InChI InChI=1S/C44H62N4/c1-11-21-23-35-41-31(17-7)27(13-3)37(45-41)25-39-29(15-5)33(19-9)43(47-39)36(24-22-12-2)44-34(20-10)30(16-6)40(48-44)26-38-28(14-4)32(18-8)42(35)46-38/h25-26,45,48H,11-24H2,1-10H3/b37-25-,38-26-,39-25-,40-26-,41-35-,42-35-,43-36-,44-36-
InChIKey MOTOHPWRPPAKRD-MQSPLCOFSA-N
Molecular Weight 647.008 g/mol
SMILES [nH]1c2c(c(c1c(c1nc(cc3[nH]c(c(c4nc(c2)c(c4CC)CC)CCCC)c(c3CC)CC)c(c1CC)CC)CCCC)CC)CC
SPLASH splash10-0002-0000009000-0fb0b94f953f963ad017
Source of Spectrum QE-6-2733-12
Synonyms 2,12-dibutyl-4,5,9,10,14,15,19,20-octaethyl-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 844870