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1-[1-(2,3,4,5,6-Penta(1H-pyrrol-1-yl)phenyl)-1H-pyrrol-2-yl]propan-1-one
SpectraBase Compound ID EcOXicJhUkY
InChI InChI=1S/C33H28N6O/c1-2-27(40)26-14-13-25-39(26)33-31(37-21-9-10-22-37)29(35-17-5-6-18-35)28(34-15-3-4-16-34)30(36-19-7-8-20-36)32(33)38-23-11-12-24-38/h3-25H,2H2,1H3
InChIKey OITOYVGTKMAFGT-UHFFFAOYSA-N
Mol Weight 524.6 g/mol
Molecular Formula C33H28N6O
Exact Mass 524.23246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ja8PmL615ZG
Name 1-[1-(2,3,4,5,6-Penta(1H-pyrrol-1-yl)phenyl)-1H-pyrrol-2-yl]propan-1-one
Appearance Yellow
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H28N6O
InChI InChI=1S/C33H28N6O/c1-2-27(40)26-14-13-25-39(26)33-31(37-21-9-10-22-37)29(35-17-5-6-18-35)28(34-15-3-4-16-34)30(36-19-7-8-20-36)32(33)38-23-11-12-24-38/h3-25H,2H2,1H3
InChIKey OITOYVGTKMAFGT-UHFFFAOYSA-N
Instrument Name Kratos Analytical GC/MS 25 RFA
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.214
Molecular Weight 524.628 g/mol
SMILES c1([n](ccc1)-c1c(c(c(c(c1-[n]1cccc1)-[n]1cccc1)-[n]1cccc1)-[n]1cccc1)-[n]1cccc1)C(CC)=O
SPLASH splash10-00di-0000490000-e05e0fbd9d158ca2535a
Source of Spectrum ARK-2006-128-3c
Thin-Layer Chromatography Rf = 0.11 (toluene)
Wiley ID 1871249