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2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-porphyrin
SpectraBase Compound ID FrP10ovWH5N
InChI InChI=1S/C40H54N4/c1-9-13-17-29-25(5)33-21-34-27(7)31(19-15-11-3)39(43-34)24-40-32(20-16-12-4)28(8)36(44-40)22-35-26(6)30(18-14-10-2)38(42-35)23-37(29)41-33/h21-24,41,44H,9-20H2,1-8H3/b33-21-,34-21-,35-22-,36-22-,37-23-,38-23-,39-24-,40-24-
InChIKey KBNWAXJWLDRWQP-QAOILRMHSA-N
Mol Weight 590.9 g/mol
Molecular Formula C40H54N4
Exact Mass 590.434848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzWN6Ks8Q1c
Name 2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-porphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54N4
InChI InChI=1S/C40H54N4/c1-9-13-17-29-25(5)33-21-34-27(7)31(19-15-11-3)39(43-34)24-40-32(20-16-12-4)28(8)36(44-40)22-35-26(6)30(18-14-10-2)38(42-35)23-37(29)41-33/h21-24,41,44H,9-20H2,1-8H3/b33-21-,34-21-,35-22-,36-22-,37-23-,38-23-,39-24-,40-24-
InChIKey KBNWAXJWLDRWQP-QAOILRMHSA-N
Molecular Weight 590.900 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C)CCCC)c(c3CCCC)C)c(c1C)CCCC)C)CCCC
SPLASH splash10-0006-9000040000-81090156f1997d414ea7
Synonyms 4,10,14,20-Tetrabutyl-5,9,15,19-tetramethyl-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 1457722