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5-Hexyl-15-propyl-10,20-diphenylporphyrin
SpectraBase Compound ID ArZ9DuCAjg5
InChI InChI=1S/C41H40N4/c1-3-5-6-13-19-31-34-22-26-38(44-34)40(28-15-9-7-10-16-28)36-24-20-32(42-36)30(14-4-2)33-21-25-37(43-33)41(29-17-11-8-12-18-29)39-27-23-35(31)45-39/h7-12,15-18,20-27,42,45H,3-6,13-14,19H2,1-2H3/b32-30-,33-30-,34-31-,35-31-,40-36-,40-38-,41-37-,41-39-
InChIKey BFBNQRZEZOBFAY-ZWVQSXDRSA-N
Mol Weight 588.8 g/mol
Molecular Formula C41H40N4
Exact Mass 588.325297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gm4T9QSNzz
Name 5-Hexyl-15-propyl-10,20-diphenylporphyrin
Alternate Name(s) 2-Hexyl-7,17-diphenyl-12-propyl-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 C41H40N4
InChI InChI=1S/C41H40N4/c1-3-5-6-13-19-31-34-22-26-38(44-34)40(28-15-9-7-10-16-28)36-24-20-32(42-36)30(14-4-2)33-21-25-37(43-33)41(29-17-11-8-12-18-29)39-27-23-35(31)45-39/h7-12,15-18,20-27,42,45H,3-6,13-14,19H2,1-2H3/b32-30-,33-30-,34-31-,35-31-,40-36-,40-38-,41-37-,41-39-
InChIKey BFBNQRZEZOBFAY-ZWVQSXDRSA-N
Molecular Weight 588.799 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2CCC)cc4)-c2ccccc2)cc3)CCCCCC)cc1)-c1ccccc1
SPLASH splash10-00kr-0010290000-5ae5a36e79c8a9cb72a1
Source of Spectrum O1-65-2446-10
Wiley ID 1593256