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

View entire compound with spectra: 1 MS (GC)

3,4-Bis-(1-(4-methylphenyl)-3-acetyl-pyrazol-4-carbonyl)-5- methyl-1-[4-(1-(4-methylphenyl)-3-acetyl-pyrazol-4-carbonyl)-phenyl]-pyrazole
SpectraBase Compound ID F882Ro2nqPN
InChI InChI=1S/C49H40N8O6/c1-27-8-16-35(17-9-27)54-24-39(43(50-54)31(5)58)47(61)34-14-22-38(23-15-34)57-30(4)42(48(62)40-25-55(51-44(40)32(6)59)36-18-10-28(2)11-19-36)46(53-57)49(63)41-26-56(52-45(41)33(7)60)37-20-12-29(3)13-21-37/h8-26H,1-7H3
InChIKey RSUCQLHBRQAHPX-UHFFFAOYSA-N
Mol Weight 836.9 g/mol
Molecular Formula C49H40N8O6
Exact Mass 836.307081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hbjfhASR6
Name 3,4-Bis-(1-(4-methylphenyl)-3-acetyl-pyrazol-4-carbonyl)-5- methyl-1-[4-(1-(4-methylphenyl)-3-acetyl-pyrazol-4-carbonyl)-phenyl]-pyrazole
Appearance Brown solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H40N8O6
InChI InChI=1S/C49H40N8O6/c1-27-8-16-35(17-9-27)54-24-39(43(50-54)31(5)58)47(61)34-14-22-38(23-15-34)57-30(4)42(48(62)40-25-55(51-44(40)32(6)59)36-18-10-28(2)11-19-36)46(53-57)49(63)41-26-56(52-45(41)33(7)60)37-20-12-29(3)13-21-37/h8-26H,1-7H3
InChIKey RSUCQLHBRQAHPX-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2644
Molecular Weight 836.909 g/mol
SMILES c1(n[n](c(c1C(=O)c1c(n[n](c1)-c1ccc(cc1)C)C(C)=O)C)-c1ccc(cc1)C(c1c[n](nc1C(C)=O)-c1ccc(cc1)C)=O)C(c1c[n](nc1C(C)=O)-c1ccc(cc1)C)=O
SPLASH splash10-059i-2492202570-812eb328e12a23242e13
Source of Spectrum Y-54-702-7b
Wiley ID 1877939