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3,4-Bis-(1-(4-chlorophenyl)-3-acetyl-pyrazol-4-carbonyl)-5-methyl-1-[4-(1-(4-chlorophenyl)-3-acetyl-pyrazol-4-carbonyl)-phenyl]-pyrazole

View entire compound with spectra: 1 MS (GC)

3,4-Bis-(1-(4-chlorophenyl)-3-acetyl-pyrazol-4-carbonyl)-5-methyl-1-[4-(1-(4-chlorophenyl)-3-acetyl-pyrazol-4-carbonyl)-phenyl]-pyrazole
SpectraBase Compound ID AeYDBscflmH
InChI InChI=1S/C46H31Cl3N8O6/c1-24-39(45(62)37-22-55(51-41(37)26(3)59)33-17-9-30(48)10-18-33)43(46(63)38-23-56(52-42(38)27(4)60)34-19-11-31(49)12-20-34)53-57(24)35-13-5-28(6-14-35)44(61)36-21-54(50-40(36)25(2)58)32-15-7-29(47)8-16-32/h5-23H,1-4H3
InChIKey XBUGNUCXLMKYML-UHFFFAOYSA-N
Mol Weight 898.2 g/mol
Molecular Formula C46H31Cl3N8O6
Exact Mass 896.143214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtMt2QSYyxN
Name 3,4-Bis-(1-(4-chlorophenyl)-3-acetyl-pyrazol-4-carbonyl)-5-methyl-1-[4-(1-(4-chlorophenyl)-3-acetyl-pyrazol-4-carbonyl)-phenyl]-pyrazole
Appearance Dark yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H31Cl3N8O6
InChI InChI=1S/C46H31Cl3N8O6/c1-24-39(45(62)37-22-55(51-41(37)26(3)59)33-17-9-30(48)10-18-33)43(46(63)38-23-56(52-42(38)27(4)60)34-19-11-31(49)12-20-34)53-57(24)35-13-5-28(6-14-35)44(61)36-21-54(50-40(36)25(2)58)32-15-7-29(47)8-16-32/h5-23H,1-4H3
InChIKey XBUGNUCXLMKYML-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2644
Molecular Weight 898.163 g/mol
SMILES c1(n[n](c(c1C(=O)c1c(n[n](c1)-c1ccc(cc1)Cl)C(C)=O)C)-c1ccc(cc1)C(c1c[n](nc1C(C)=O)-c1ccc(cc1)Cl)=O)C(c1c[n](nc1C(C)=O)-c1ccc(cc1)Cl)=O
SPLASH splash10-055v-1886350920-1c96ed8264d3b6fd77a1
Source of Spectrum Y-54-703-7c
Wiley ID 1877940