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5,10,15,20-tetra(Butyl)-21-methylporphyrin
SpectraBase Compound ID 4peKqPRCTBa
InChI InChI=1S/C37H48N4/c1-6-10-14-26-30-18-19-31(38-30)27(15-11-7-2)33-21-23-35(40-33)29(17-13-9-4)37-25-24-36(41(37)5)28(16-12-8-3)34-22-20-32(26)39-34/h18-25,38H,6-17H2,1-5H3/b30-26-,31-27-,32-26-,33-27-,34-28-,35-29-,36-28-,37-29-
InChIKey RWXAIJTWHOKLQY-MBAONNDASA-N
Mol Weight 548.8 g/mol
Molecular Formula C37H48N4
Exact Mass 548.387898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy7w51V2RLl
Name 5,10,15,20-tetra(Butyl)-21-methylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H48N4
InChI InChI=1S/C37H48N4/c1-6-10-14-26-30-18-19-31(38-30)27(15-11-7-2)33-21-23-35(40-33)29(17-13-9-4)37-25-24-36(41(37)5)28(16-12-8-3)34-22-20-32(26)39-34/h18-25,38H,6-17H2,1-5H3/b30-26-,31-27-,32-26-,33-27-,34-28-,35-29-,36-28-,37-29-
InChIKey RWXAIJTWHOKLQY-MBAONNDASA-N
Molecular Weight 548.819 g/mol
SMILES N1\C2=C/(C3=N\C(=C/(c4[n](c(\C(=C\5N=C(\C(=C/1C=C2)CCCC)C=C5)CCCC)cc4)C)CCCC)C=C3)CCCC
SPLASH splash10-0005-0000390000-47cd89d14858d6c51b32
Source of Spectrum U-1997-1350-14
Synonyms 2,7,12,17-tetrabutyl-24-methyl-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 769803