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Propanedinitrile, 2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis[5,1-pentanediyl(3,5-dimethyl-1H-pyrrole-4,2-diyl)methylidyne]]bis-
SpectraBase Compound ID Dz7Tdfkh5LF
InChI InChI=1S/C40H48N6/c1-25-27(3)36(16-12-10-14-18-38-31(7)45-32(8)39(38)19-33(21-41)22-42)28(4)26(2)35(25)15-11-9-13-17-37-29(5)40(46-30(37)6)20-34(23-43)24-44/h19-20,45-46H,9-18H2,1-8H3
InChIKey RULHRUHWWIDRKK-UHFFFAOYSA-N
Mol Weight 612.9 g/mol
Molecular Formula C40H48N6
Exact Mass 612.394046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5p5ZUv2X121
Name Propanedinitrile, 2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis[5,1-pentanediyl(3,5-dimethyl-1H-pyrrole-4,2-diyl)methylidyne]]bis-
CAS Registry Number 102393-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H48N6
InChI InChI=1S/C40H48N6/c1-25-27(3)36(16-12-10-14-18-38-31(7)45-32(8)39(38)19-33(21-41)22-42)28(4)26(2)35(25)15-11-9-13-17-37-29(5)40(46-30(37)6)20-34(23-43)24-44/h19-20,45-46H,9-18H2,1-8H3
InChIKey RULHRUHWWIDRKK-UHFFFAOYSA-N
Molecular Weight 612.866 g/mol
SMILES [nH]1c(c(CCCCCc2c(c(c(CCCCCc3c([nH]c(c3C=C(C#N)C#N)C)C)c(c2C)C)C)C)c(c1C=C(C#N)C#N)C)C
SPLASH splash10-03e9-0510019000-c19ece7e180da898449e
Source of Spectrum I-66-2069-28
Synonyms 1,4-bis{5-[5[(2,2-dicyanovinyl)-2,4-dimethylpyrrol-3-yl]pentyl}-2,3,5,6-tetramethylbenzene 2-({4-[5-(4-{5-[4-(2,2-dicyanovinyl)-2,5-dimethyl-1H-pyrrol-3-yl]pentyl}-2,3,5,6-tetramethylphenyl)pentyl]-3,5-dimethyl-1H-pyrrol-2-yl}methylene)malononitrile
Wiley ID 1411097