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URB447

View entire compound with spectra: 1 FTIR, 1 Raman, and 2 MS (GC)

URB447
SpectraBase Compound ID C0Bp7Y57VNU
InChI InChI=1S/C25H21ClN2O/c1-17-22(25(29)20-10-6-3-7-11-20)23(27)24(19-8-4-2-5-9-19)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16,27H2,1H3
InChIKey KGXYGMKEFDUWNB-UHFFFAOYSA-N
Mol Weight 400.91 g/mol
Molecular Formula C25H21ClN2O
Exact Mass 400.134241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A29W8BMJOyI
Name URB447
Alternate Name(s) [4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-1H-pyrrol-3-yl]phenyl-methanone (4-amino-1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21ClN2O
InChI InChI=1S/C25H21ClN2O/c1-17-22(25(29)20-10-6-3-7-11-20)23(27)24(19-8-4-2-5-9-19)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16,27H2,1H3
InChIKey KGXYGMKEFDUWNB-UHFFFAOYSA-N
Molecular Weight 400.909 g/mol
SMILES Nc1c([n](c(c1C(c1ccccc1)=O)C)Cc1ccc(cc1)Cl)-c1ccccc1
SPLASH splash10-0fb9-4970400000-9055eaed527b2053ecb4
Source of Spectrum SWG-33-2574-0
Wiley ID 1809719