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[5-butyl-4-(phenylcarbonyl)-1H-pyrrol-3-yl]-phenyl-methanone
SpectraBase Compound ID AuJMQ3nBVB0
InChI InChI=1S/C22H21NO2/c1-2-3-14-19-20(22(25)17-12-8-5-9-13-17)18(15-23-19)21(24)16-10-6-4-7-11-16/h4-13,15,23H,2-3,14H2,1H3
InChIKey ILGBLLJQQSBSHP-UHFFFAOYSA-N
Mol Weight 331.42 g/mol
Molecular Formula C22H21NO2
Exact Mass 331.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASR4TGURHjU
Name [5-butyl-4-(phenylcarbonyl)-1H-pyrrol-3-yl]-phenyl-methanone
Alternate Name(s) (4-benzoyl-5-butyl-1H-pyrrol-3-yl)-phenylmethanone
CAS Registry Number 101402-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO2
InChI InChI=1S/C22H21NO2/c1-2-3-14-19-20(22(25)17-12-8-5-9-13-17)18(15-23-19)21(24)16-10-6-4-7-11-16/h4-13,15,23H,2-3,14H2,1H3
InChIKey ILGBLLJQQSBSHP-UHFFFAOYSA-N
Molecular Weight 331.415 g/mol
SMILES [nH]1c(c(c(c1)C(=O)c1ccccc1)C(=O)c1ccccc1)CCCC
SPLASH splash10-057i-9758000000-66b5b6c6a503de986613
Source of Spectrum J-51-2003-45
Wiley ID 1328882