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5,10,15,20-tetrakis(Isobutyl)-21-methylporphyrin
SpectraBase Compound ID 2KtnYEFYAyk
InChI InChI=1S/C37H48N4/c1-22(2)18-26-30-10-11-31(38-30)27(19-23(3)4)33-13-15-35(40-33)29(21-25(7)8)37-17-16-36(41(37)9)28(20-24(5)6)34-14-12-32(26)39-34/h10-17,22-25,38H,18-21H2,1-9H3/b30-26-,31-27-,32-26-,33-27-,34-28-,35-29-,36-28-,37-29-
InChIKey JCMQDXMQMPUYDI-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 BhTB0a31KTP
Name 5,10,15,20-tetrakis(Isobutyl)-21-methylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H48N4
InChI InChI=1S/C37H48N4/c1-22(2)18-26-30-10-11-31(38-30)27(19-23(3)4)33-13-15-35(40-33)29(21-25(7)8)37-17-16-36(41(37)9)28(20-24(5)6)34-14-12-32(26)39-34/h10-17,22-25,38H,18-21H2,1-9H3/b30-26-,31-27-,32-26-,33-27-,34-28-,35-29-,36-28-,37-29-
InChIKey JCMQDXMQMPUYDI-MBAONNDASA-N
Molecular Weight 548.819 g/mol
SMILES N1\C=2C=C\C1=C/(C1=N\C(=C/(c3[n](c(\C(=C\4N=C(C\2CC(C)C)C=C4)CC(C)C)cc3)C)CC(C)C)C=C1)CC(C)C
SPLASH splash10-0002-0000190000-3a914dd04ebda612c473
Source of Spectrum U-1997-1350-15
Synonyms 2,7,12,17-tetraisobutyl-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 769802