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1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3-fluorobenzoyl)piperazine
SpectraBase Compound ID KV888Dib3v8
InChI InChI=1S/C22H22FN5O3/c1-15-12-16(2)27(24-15)21-14-19(6-7-20(21)28(30)31)25-8-10-26(11-9-25)22(29)17-4-3-5-18(23)13-17/h3-7,12-14H,8-11H2,1-2H3
InChIKey YDXLMCQTHQGLGZ-UHFFFAOYSA-N
Mol Weight 423.45 g/mol
Molecular Formula C22H22FN5O3
Exact Mass 423.170668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8j7C4PvJ7k6
Name 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3-fluorobenzoyl)piperazine
Alternate Name(s) [4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-(3-fluorophenyl)methanone [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(3-fluorophenyl)methanone [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-(3-fluorophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22FN5O3
InChI InChI=1S/C22H22FN5O3/c1-15-12-16(2)27(24-15)21-14-19(6-7-20(21)28(30)31)25-8-10-26(11-9-25)22(29)17-4-3-5-18(23)13-17/h3-7,12-14H,8-11H2,1-2H3
InChIKey YDXLMCQTHQGLGZ-UHFFFAOYSA-N
Molecular Weight 423.448 g/mol
SMILES c1ccc(C(N2CCN(c3cc(-[n]4nc(C)cc4C)c(N(=O)=O)cc3)CC2)=O)cc1F
SPLASH splash10-05fv-9430000000-9c33226cf1c012663058
Wiley ID 1464000