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Methylenebis-2-(3-(4-methylphenyl)-4,5-dihydro-1Hpyrazol-5-yl)-4,1-phenylene diacetates
SpectraBase Compound ID 3a9io6qERzK
InChI InChI=1S/C37H36N4O4/c1-22-5-11-28(12-6-22)32-20-34(40-38-32)30-18-26(9-15-36(30)44-24(3)42)17-27-10-16-37(45-25(4)43)31(19-27)35-21-33(39-41-35)29-13-7-23(2)8-14-29/h5-16,18-19,34-35,40-41H,17,20-21H2,1-4H3
InChIKey BAFUMUDIHGEYIJ-UHFFFAOYSA-N
Mol Weight 600.7 g/mol
Molecular Formula C37H36N4O4
Exact Mass 600.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3d5txvKuSel
Name Methylenebis-2-(3-(4-methylphenyl)-4,5-dihydro-1Hpyrazol-5-yl)-4,1-phenylene diacetates
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H36N4O4
InChI InChI=1S/C37H36N4O4/c1-22-5-11-28(12-6-22)32-20-34(40-38-32)30-18-26(9-15-36(30)44-24(3)42)17-27-10-16-37(45-25(4)43)31(19-27)35-21-33(39-41-35)29-13-7-23(2)8-14-29/h5-16,18-19,34-35,40-41H,17,20-21H2,1-4H3
InChIKey BAFUMUDIHGEYIJ-UHFFFAOYSA-N
Molecular Weight 600.719 g/mol
SMILES N1C(c2cc(Cc3cc(C4CC(=NN4)c4ccc(cc4)C)c(cc3)OC(=O)C)ccc2OC(=O)C)CC(=N1)c1ccc(cc1)C
SPLASH splash10-0f6x-0020095000-2e082cc7d1f3f63f80f1
Source of Spectrum F2-46-2439-5c
Synonyms Acetic acid [4-[[4-acetyloxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] ester [4-[[4-acetyloxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] acetate [4-[[4-acetoxy-3-[3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] acetate [4-[[4-acetyloxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] ethanoate
Wiley ID 1689649