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Methylenebis-2-(3-(4-chlorophenyl)-4,5-dihydro-1Hpyrazol-5-yl)-4,1-phenylene diacetates
SpectraBase Compound ID 8JPnjYNqWUC
InChI InChI=1S/C35H30Cl2N4O4/c1-20(42)44-34-13-3-22(16-28(34)32-18-30(38-40-32)24-5-9-26(36)10-6-24)15-23-4-14-35(45-21(2)43)29(17-23)33-19-31(39-41-33)25-7-11-27(37)12-8-25/h3-14,16-17,32-33,40-41H,15,18-19H2,1-2H3
InChIKey BCCSXCJDEICKQH-UHFFFAOYSA-N
Mol Weight 641.6 g/mol
Molecular Formula C35H30Cl2N4O4
Exact Mass 640.164411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNztoCwBvEB
Name Methylenebis-2-(3-(4-chlorophenyl)-4,5-dihydro-1Hpyrazol-5-yl)-4,1-phenylene diacetates
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H30Cl2N4O4
InChI InChI=1S/C35H30Cl2N4O4/c1-20(42)44-34-13-3-22(16-28(34)32-18-30(38-40-32)24-5-9-26(36)10-6-24)15-23-4-14-35(45-21(2)43)29(17-23)33-19-31(39-41-33)25-7-11-27(37)12-8-25/h3-14,16-17,32-33,40-41H,15,18-19H2,1-2H3
InChIKey BCCSXCJDEICKQH-UHFFFAOYSA-N
Molecular Weight 641.555 g/mol
SMILES N1C(c2cc(Cc3cc(C4CC(=NN4)c4ccc(cc4)Cl)c(cc3)OC(=O)C)ccc2OC(=O)C)CC(=N1)c1ccc(cc1)Cl
SPLASH splash10-001i-0090023000-d08d47ffa4a22589ec58
Source of Spectrum F2-46-2439-5a
Synonyms Acetic acid [4-[[4-acetyloxy-3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] ester [4-[[4-acetyloxy-3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] acetate [4-[[4-acetoxy-3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] acetate [4-[[4-acetyloxy-3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] ethanoate
Wiley ID 1689651