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2,5-Bis[(5-formyl-4-methyl-3-octyl-1H-pyrrole-2-yl)methyl]-3,4-dimethylpyrrole
SpectraBase Compound ID BlgT5PihFn0
InChI InChI=1S/C36H55N3O2/c1-7-9-11-13-15-17-19-29-27(5)35(23-40)38-33(29)21-31-25(3)26(4)32(37-31)22-34-30(28(6)36(24-41)39-34)20-18-16-14-12-10-8-2/h23-24,37-39H,7-22H2,1-6H3
InChIKey KIYRFGAWYXWPOB-UHFFFAOYSA-N
Mol Weight 561.9 g/mol
Molecular Formula C36H55N3O2
Exact Mass 561.429428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkZ4auHsjYd
Name 2,5-Bis[(5-formyl-4-methyl-3-octyl-1H-pyrrole-2-yl)methyl]-3,4-dimethylpyrrole
Alternate Name(s) 5-({5-[(5-formyl-4-methyl-3-octyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methyl)-3-methyl-4-octyl-1H-pyrrole-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H55N3O2
InChI InChI=1S/C36H55N3O2/c1-7-9-11-13-15-17-19-29-27(5)35(23-40)38-33(29)21-31-25(3)26(4)32(37-31)22-34-30(28(6)36(24-41)39-34)20-18-16-14-12-10-8-2/h23-24,37-39H,7-22H2,1-6H3
InChIKey KIYRFGAWYXWPOB-UHFFFAOYSA-N
Molecular Weight 561.855 g/mol
SMILES [nH]1c(Cc2[nH]c(c(c2CCCCCCCC)C)C=O)c(c(C)c1Cc1[nH]c(c(c1CCCCCCCC)C)C=O)C
SPLASH splash10-0560-0794040000-4f2b05437f111e33e375
Source of Spectrum H1-36-1569-5
Wiley ID 755284