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4,4'-Methylenebis[2-(3-(4-bromophenyl)-4,5-dihydro-1Hpyrazol-5-yl)phenol]
SpectraBase Compound ID 2Zqx0APmQ2k
InChI InChI=1S/C31H26Br2N4O2/c32-22-7-3-20(4-8-22)26-16-28(36-34-26)24-14-18(1-11-30(24)38)13-19-2-12-31(39)25(15-19)29-17-27(35-37-29)21-5-9-23(33)10-6-21/h1-12,14-15,28-29,36-39H,13,16-17H2
InChIKey DGMQSJSJLADNNR-UHFFFAOYSA-N
Mol Weight 646.38 g/mol
Molecular Formula C31H26Br2N4O2
Exact Mass 644.042252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRitMwyCXA8
Name 4,4'-Methylenebis[2-(3-(4-bromophenyl)-4,5-dihydro-1Hpyrazol-5-yl)phenol]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26Br2N4O2
InChI InChI=1S/C31H26Br2N4O2/c32-22-7-3-20(4-8-22)26-16-28(36-34-26)24-14-18(1-11-30(24)38)13-19-2-12-31(39)25(15-19)29-17-27(35-37-29)21-5-9-23(33)10-6-21/h1-12,14-15,28-29,36-39H,13,16-17H2
InChIKey DGMQSJSJLADNNR-UHFFFAOYSA-N
Molecular Weight 646.383 g/mol
SMILES N1C(c2cc(Cc3ccc(c(c3)C3NN=C(C3)c3ccc(cc3)Br)O)ccc2O)CC(=N1)c1ccc(cc1)Br
SPLASH splash10-00dj-0490102000-3e79eec977d4f23c3569
Source of Spectrum F2-46-2439-4b
Synonyms 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxyphenyl]methyl]phenol 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxy-phenyl]methyl]phenol 2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-oxidanyl-phenyl]methyl]phenol
Wiley ID 1689653