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

View entire compound with spectra: 1 MS (GC)

3,4-Bis-(1-(4-methylphenyl)-3-ethoxycarbonyl-pyrazol-4-carbonyl)-5-methyl-1-[4-(1-(4-methylphenyl)-3-ethoxycarbonyl-pyrazol-4-carbonyl)-phenyl]-pyrazole
SpectraBase Compound ID ICq2TpmPMhK
InChI InChI=1S/C52H46N8O9/c1-8-67-50(64)43-39(27-57(53-43)35-19-11-30(4)12-20-35)47(61)34-17-25-38(26-18-34)60-33(7)42(48(62)40-28-58(36-21-13-31(5)14-22-36)54-44(40)51(65)68-9-2)46(56-60)49(63)41-29-59(37-23-15-32(6)16-24-37)55-45(41)52(66)69-10-3/h11-29H,8-10H2,1-7H3
InChIKey QZNZECBKNACOSM-UHFFFAOYSA-N
Mol Weight 927.0 g/mol
Molecular Formula C52H46N8O9
Exact Mass 926.338775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOCIj8wggLZ
Name 3,4-Bis-(1-(4-methylphenyl)-3-ethoxycarbonyl-pyrazol-4-carbonyl)-5-methyl-1-[4-(1-(4-methylphenyl)-3-ethoxycarbonyl-pyrazol-4-carbonyl)-phenyl]-pyrazole
Appearance Brown solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H46N8O9
InChI InChI=1S/C52H46N8O9/c1-8-67-50(64)43-39(27-57(53-43)35-19-11-30(4)12-20-35)47(61)34-17-25-38(26-18-34)60-33(7)42(48(62)40-28-58(36-21-13-31(5)14-22-36)54-44(40)51(65)68-9-2)46(56-60)49(63)41-29-59(37-23-15-32(6)16-24-37)55-45(41)52(66)69-10-3/h11-29H,8-10H2,1-7H3
InChIKey QZNZECBKNACOSM-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2644
Molecular Weight 926.987 g/mol
SMILES c1(n[n](c(c1C(=O)c1c(n[n](c1)-c1ccc(cc1)C)C(=O)OCC)C)-c1ccc(cc1)C(c1c[n](nc1C(=O)OCC)-c1ccc(cc1)C)=O)C(c1c[n](nc1C(=O)OCC)-c1ccc(cc1)C)=O
SPLASH splash10-056r-6901020000-04b1cdb6c71e7900b604
Source of Spectrum Y-54-703-7e
Wiley ID 1877941