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1-[4-(3-(Dibenzylamino)-2-propyl-5-(pyridin-2-yl)-1H-pyrrol-1-yl)phenyl]ethan-1-one
SpectraBase Compound ID 49kHFEfu3YR
InChI InChI=1S/C34H33N3O/c1-3-12-32-34(36(24-27-13-6-4-7-14-27)25-28-15-8-5-9-16-28)23-33(31-17-10-11-22-35-31)37(32)30-20-18-29(19-21-30)26(2)38/h4-11,13-23H,3,12,24-25H2,1-2H3
InChIKey BGDHVFDABOFGKX-UHFFFAOYSA-N
Mol Weight 499.7 g/mol
Molecular Formula C34H33N3O
Exact Mass 499.262363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KCG2D6cxrQ
Name 1-[4-(3-(Dibenzylamino)-2-propyl-5-(pyridin-2-yl)-1H-pyrrol-1-yl)phenyl]ethan-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H33N3O
InChI InChI=1S/C34H33N3O/c1-3-12-32-34(36(24-27-13-6-4-7-14-27)25-28-15-8-5-9-16-28)23-33(31-17-10-11-22-35-31)37(32)30-20-18-29(19-21-30)26(2)38/h4-11,13-23H,3,12,24-25H2,1-2H3
InChIKey BGDHVFDABOFGKX-UHFFFAOYSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900837
Molecular Weight 499.658 g/mol
Reported Formula C34H33N3O
SMILES c1([n](c(c(c1)N(Cc1ccccc1)Cc1ccccc1)CCC)-c1ccc(cc1)C(=O)C)-c1ncccc1
SPLASH splash10-0a6v-2007910000-64a57496b66d191d186b
Source of Spectrum ASC-361-SM29-9ic
Thin-Layer Chromatography Rf = 0.24 (hexane/EtOAc, 8:2)
Wiley ID 1838084