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4,4'-[(3-bromophenyl)methylene]bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
SpectraBase Compound ID LeAmI8wFyYQ
InChI InChI=1S/C27H23BrN4O2/c1-17-23(26(33)31(29-17)21-12-5-3-6-13-21)25(19-10-9-11-20(28)16-19)24-18(2)30-32(27(24)34)22-14-7-4-8-15-22/h3-16,25,33-34H,1-2H3
InChIKey NKLAEJZULWOZKF-UHFFFAOYSA-N
Mol Weight 515.41 g/mol
Molecular Formula C27H23BrN4O2
Exact Mass 514.100439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cRr6W5kjV
Name 4,4'-[(3-bromophenyl)methylene]bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23BrN4O2
InChI InChI=1S/C27H23BrN4O2/c1-17-23(26(33)31(29-17)21-12-5-3-6-13-21)25(19-10-9-11-20(28)16-19)24-18(2)30-32(27(24)34)22-14-7-4-8-15-22/h3-16,25,33-34H,1-2H3
InChIKey NKLAEJZULWOZKF-UHFFFAOYSA-N
Molecular Weight 515.411 g/mol
SMILES Oc1c(C(c2c([n](nc2C)-c2ccccc2)O)c2cc(Br)ccc2)c(n[n]1-c1ccccc1)C
SPLASH splash10-00bl-8900000000-68e1ec835a648650c0b0
Source of Spectrum F4-40-1936-3g
Wiley ID 1670759