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Methylenebis-2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]-4,1-phenylene diacetate
SpectraBase Compound ID uVCrgeMAtW
InChI InChI=1S/C37H32N4O8/c1-20(42)48-32-7-3-22(12-26(32)30-16-28(38-40-30)24-5-9-34-36(14-24)46-18-44-34)11-23-4-8-33(49-21(2)43)27(13-23)31-17-29(39-41-31)25-6-10-35-37(15-25)47-19-45-35/h3-10,12-15,30-31,40-41H,11,16-19H2,1-2H3
InChIKey FKHODEPUZFFFFY-UHFFFAOYSA-N
Mol Weight 660.7 g/mol
Molecular Formula C37H32N4O8
Exact Mass 660.222014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DHBeP5Oxwi
Name Methylenebis-2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]-4,1-phenylene diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H32N4O8
InChI InChI=1S/C37H32N4O8/c1-20(42)48-32-7-3-22(12-26(32)30-16-28(38-40-30)24-5-9-34-36(14-24)46-18-44-34)11-23-4-8-33(49-21(2)43)27(13-23)31-17-29(39-41-31)25-6-10-35-37(15-25)47-19-45-35/h3-10,12-15,30-31,40-41H,11,16-19H2,1-2H3
InChIKey FKHODEPUZFFFFY-UHFFFAOYSA-N
Molecular Weight 660.683 g/mol
SMILES N1C(c2cc(Cc3cc(C4CC(=NN4)c4cc5OCOc5cc4)c(cc3)OC(=O)C)ccc2OC(=O)C)CC(=N1)c1cc2OCOc2cc1
SPLASH splash10-001i-0090006000-aa4d9101031d4153feb0
Source of Spectrum F2-46-2440-5e
Synonyms Acetic acid [4-[[4-acetyloxy-3-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] ester [4-[[4-acetyloxy-3-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] acetate [4-[[4-acetoxy-3-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] acetate [4-[[4-acetyloxy-3-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl] ethanoate
Wiley ID 1689647