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(2,4-dichlorophenyl)-[4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2,4-dichlorophenyl)-[4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone
SpectraBase Compound ID SdIdMtxc6w
InChI InChI=1S/C21H21Cl2FN4O3/c22-14-3-4-15(16(23)11-14)21(29)27-9-7-26(8-10-27)19-13-18(25-5-1-2-6-25)17(24)12-20(19)28(30)31/h3-4,11-13H,1-2,5-10H2
InChIKey MYIJIUMBVWUQLH-UHFFFAOYSA-N
Mol Weight 467.33 g/mol
Molecular Formula C21H21Cl2FN4O3
Exact Mass 466.097474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tcgCxts97k
Name (2,4-dichlorophenyl)-[4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21Cl2FN4O3
InChI InChI=1S/C21H21Cl2FN4O3/c22-14-3-4-15(16(23)11-14)21(29)27-9-7-26(8-10-27)19-13-18(25-5-1-2-6-25)17(24)12-20(19)28(30)31/h3-4,11-13H,1-2,5-10H2
InChIKey MYIJIUMBVWUQLH-UHFFFAOYSA-N
Molecular Weight 467.328 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)F)N1CCCC1)N1CCN(C(c2c(cc(cc2)Cl)Cl)=O)CC1
SPLASH splash10-0ab9-4950000000-89b90300f07acab40a1e
Synonyms (2,4-dichlorophenyl)-[4-(4-fluoro-2-nitro-5-pyrrolidino-phenyl)piperazino]methanone (2,4-dichlorophenyl)-[4-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone (2,4-dichlorophenyl)-[4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
Wiley ID 1461470