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5-Butyl-15-pentyl-10,20-diphenylporphyrin
SpectraBase Compound ID IPN3V63yv1x
InChI InChI=1S/C41H40N4/c1-3-5-9-19-31-34-22-26-38(44-34)40(28-14-10-7-11-15-28)36-24-20-32(42-36)30(18-6-4-2)33-21-25-37(43-33)41(29-16-12-8-13-17-29)39-27-23-35(31)45-39/h7-8,10-17,20-27,42,45H,3-6,9,18-19H2,1-2H3/b32-30-,33-30-,34-31-,35-31-,40-36-,40-38-,41-37-,41-39-
InChIKey RDUBPRIXIUNCSE-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 Ft0z60r9sst
Name 5-Butyl-15-pentyl-10,20-diphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H40N4
InChI InChI=1S/C41H40N4/c1-3-5-9-19-31-34-22-26-38(44-34)40(28-14-10-7-11-15-28)36-24-20-32(42-36)30(18-6-4-2)33-21-25-37(43-33)41(29-16-12-8-13-17-29)39-27-23-35(31)45-39/h7-8,10-17,20-27,42,45H,3-6,9,18-19H2,1-2H3/b32-30-,33-30-,34-31-,35-31-,40-36-,40-38-,41-37-,41-39-
InChIKey RDUBPRIXIUNCSE-ZWVQSXDRSA-N
Molecular Weight 588.799 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2CCCCC)cc4)-c2ccccc2)cc3)CCCC)cc1)-c1ccccc1
SPLASH splash10-001a-0010190000-8f8fba7e521ae3ebf7fa
Source of Spectrum O1-65-2445-8
Synonyms 2-Butyl-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
Wiley ID 1593258