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2-[[4-[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

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2-[[4-[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
SpectraBase Compound ID GmnR19uU1S5
InChI InChI=1S/C36H46N4/c1-9-25-17-37-33(21(25)5)31(34-22(6)26(10-2)18-38-34)29-13-15-30(16-14-29)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 FYMQPMZRILSHOS-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 BmQnGouqxh3
Name 2-[[4-[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
CAS Registry Number 108895-18-7
Comments Less than 3 mono-isotopic peaks
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)29-13-15-30(16-14-29)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 FYMQPMZRILSHOS-UHFFFAOYSA-N
Molecular Weight 534.792 g/mol
SMILES [nH]1cc(c(c1C(c1ccc(C(c2[nH]cc(c2C)CC)c2[nH]cc(c2C)CC)cc1)c1[nH]cc(c1C)CC)C)CC
SPLASH splash10-004i-0000960000-40ba5048b7cc4b6c1b32
Source of Spectrum C-112-9325-40
Wiley ID 1403901