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piperazine, 1-[4-(1,1-dimethylethyl)benzoyl]-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-
SpectraBase Compound ID Fj4BuelsUOH
InChI InChI=1S/C26H31N5O3/c1-18-16-19(2)30(27-18)24-17-22(10-11-23(24)31(33)34)28-12-14-29(15-13-28)25(32)20-6-8-21(9-7-20)26(3,4)5/h6-11,16-17H,12-15H2,1-5H3
InChIKey RDRFKINNPACGJA-UHFFFAOYSA-N
Mol Weight 461.57 g/mol
Molecular Formula C26H31N5O3
Exact Mass 461.24269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECg0qEUYWH
Name (4-tert-butylphenyl)-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]methanone
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Formula C26H31N5O3
InChI InChI=1S/C26H31N5O3/c1-18-16-19(2)30(27-18)24-17-22(10-11-23(24)31(33)34)28-12-14-29(15-13-28)25(32)20-6-8-21(9-7-20)26(3,4)5/h6-11,16-17H,12-15H2,1-5H3
InChIKey RDRFKINNPACGJA-UHFFFAOYSA-N
Molecular Weight 461.566 g/mol
SMILES CC(c1ccc(C(N2CCN(c3cc(-[n]4nc(C)cc4C)c(N(=O)=O)cc3)CC2)=O)cc1)(C)C
SPLASH splash10-096r-6970200000-31532fd3d89f1ae1b951
Synonyms (4-tert-butylphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]methanone 1-(4-tert-butylbenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine (4-tert-butylphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone
Wiley ID 1464002