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5-Butyl-15-chloro-10,20-diphenylporphyrin
SpectraBase Compound ID BG4gaWq5Cbe
InChI InChI=1S/C36H29ClN4/c1-2-3-14-25-26-15-17-28(38-26)34(23-10-6-4-7-11-23)30-19-21-32(40-30)36(37)33-22-20-31(41-33)35(24-12-8-5-9-13-24)29-18-16-27(25)39-29/h4-13,15-22,38,41H,2-3,14H2,1H3/b26-25-,27-25-,34-28-,34-30-,35-29-,35-31-,36-32+,36-33+
InChIKey LGUFKQSRIBMSQT-LRRCNSSCSA-N
Mol Weight 553.1 g/mol
Molecular Formula C36H29ClN4
Exact Mass 552.208075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoZLGjvtduH
Name 5-Butyl-15-chloro-10,20-diphenylporphyrin
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H29ClN4
InChI InChI=1S/C36H29ClN4/c1-2-3-14-25-26-15-17-28(38-26)34(23-10-6-4-7-11-23)30-19-21-32(40-30)36(37)33-22-20-31(41-33)35(24-12-8-5-9-13-24)29-18-16-27(25)39-29/h4-13,15-22,38,41H,2-3,14H2,1H3/b26-25-,27-25-,34-28-,34-30-,35-29-,35-31-,36-32+,36-33+
InChIKey LGUFKQSRIBMSQT-LRRCNSSCSA-N
Molecular Weight 553.109 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2CCCC)cc4)-c2ccccc2)cc3)Cl)cc1)-c1ccccc1
SPLASH splash10-0zfr-0000090000-5099f7adc6792024b475
Source of Spectrum J-66-8699-10
Synonyms 12-butyl-2-chloro-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 1568710