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21H-Bilin-1(22H)-one, 2,3,7,8,12,13,17,18-octaethyl-19-methoxy-
SpectraBase Compound ID DqayNO5U0jf
InChI InChI=1S/C36H48N4O2/c1-10-21-23(12-3)31(19-33-25(14-5)27(16-7)35(41)39-33)37-29(21)18-30-22(11-2)24(13-4)32(38-30)20-34-26(15-6)28(17-8)36(40-34)42-9/h18-20,27H,10-17H2,1-9H3,(H,39,41)/b30-18-,31-19-,34-20-
InChIKey UYSHDHVTQAPEBX-AMYDOVHASA-N
Mol Weight 568.8 g/mol
Molecular Formula C36H48N4O2
Exact Mass 568.377727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FB6g1T4o6X
Name 21H-Bilin-1(22H)-one, 2,3,7,8,12,13,17,18-octaethyl-19-methoxy-
CAS Registry Number 113435-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48N4O2
InChI InChI=1S/C36H48N4O2/c1-10-21-23(12-3)31(19-33-25(14-5)27(16-7)35(41)39-33)37-29(21)18-30-22(11-2)24(13-4)32(38-30)20-34-26(15-6)28(17-8)36(40-34)42-9/h18-20,27H,10-17H2,1-9H3,(H,39,41)/b30-18-,31-19-,34-20-
InChIKey UYSHDHVTQAPEBX-AMYDOVHASA-N
Molecular Weight 568.806 g/mol
SMILES N1C(C(C(=C1\C=C\1N=C(\C=C\2N=C(\C=C\3N=C(OC)C(=C3CC)CC)C(=C2CC)CC)C(=C1CC)CC)CC)CC)=O
SPLASH splash10-0gb9-0000090000-d8e292716f595c00d553
Source of Spectrum KC-1987-1186-3
Synonyms 2,3,7,8,12,13,17,18-Octaethyl-19-methoxy-21H-bilin-1-one 5-{(Z)-[5-((Z)-{5-[(Z)-(3,4-diethyl-5-methoxy-2H-pyrrol-2-ylidene)methyl]-3,4-diethyl-2H-pyrrol-2-ylidene}methyl)-3,4-diethyl-2H-pyrrol-2-ylidene]methyl}-3,4-diethyl-1,3-dihydro-2H-pyrrol-2-one
Wiley ID 1407568