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1H-Pyrrole, 2,2',2'',2'''-(1,3-phenylenedimethylidyne)tetrakis[4-ethyl-3-methyl-

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole, 2,2',2'',2'''-(1,3-phenylenedimethylidyne)tetrakis[4-ethyl-3-methyl-
SpectraBase Compound ID 6NLXFcy5t4H
InChI InChI=1S/C36H46N4/c1-9-25-17-37-33(21(25)5)31(34-22(6)26(10-2)18-38-34)29-14-13-15-30(16-29)32(35-23(7)27(11-3)19-39-35)36-24(8)28(12-4)20-40-36/h13-20,31-32,37-40H,9-12H2,1-8H3
InChIKey MCIPSMBFYLOXBG-UHFFFAOYSA-N
Mol Weight 534.8 g/mol
Molecular Formula C36H46N4
Exact Mass 534.372247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfRIImQbMky
Name 1H-Pyrrole, 2,2',2'',2'''-(1,3-phenylenedimethylidyne)tetrakis[4-ethyl-3-methyl-
CAS Registry Number 102586-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H46N4
InChI InChI=1S/C36H46N4/c1-9-25-17-37-33(21(25)5)31(34-22(6)26(10-2)18-38-34)29-14-13-15-30(16-29)32(35-23(7)27(11-3)19-39-35)36-24(8)28(12-4)20-40-36/h13-20,31-32,37-40H,9-12H2,1-8H3
InChIKey MCIPSMBFYLOXBG-UHFFFAOYSA-N
Molecular Weight 534.792 g/mol
SMILES [nH]1cc(c(c1C(c1cc(C(c2[nH]cc(c2C)CC)c2[nH]cc(c2C)CC)ccc1)c1[nH]cc(c1C)CC)C)CC
SPLASH splash10-016r-0009760000-38e1154bff88f2f35f26
Source of Spectrum C-112-9325-38
Synonyms 1,3-bis[bis(4-ethyl-3-methyl-2-pyrryl)methyl]benzene 1H-pyrrole, 2,2',2'',2'''-(1,3-phenylenedimethylidyne)tetrakis[4-ethyl-3-methyl- 2-[{3-[bis(4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]phenyl}(4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole
Wiley ID 1403899