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1-Benzyl-2-phenyl-4-(4'-methylphenyl)-6-(4'-bromophenyl)-2,3-dihydropyrazolo[3,4-b][1,4]diazepine
SpectraBase Compound ID 4niaFe4m6a2
InChI InChI=1S/C32H27BrN4/c1-24-12-18-29(19-13-24)35-22-27(26-14-16-28(33)17-15-26)20-34-32-31(35)23-36(30-10-6-3-7-11-30)37(32)21-25-8-4-2-5-9-25/h2-20,22H,21,23H2,1H3
InChIKey PWVYXKXLFIYKHJ-UHFFFAOYSA-N
Mol Weight 547.5 g/mol
Molecular Formula C32H27BrN4
Exact Mass 546.14191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88ibVB9XnUI
Name 1-Benzyl-2-phenyl-4-(4'-methylphenyl)-6-(4'-bromophenyl)-2,3-dihydropyrazolo[3,4-b][1,4]diazepine
Alternate Name(s) 1-Benzyl-6-(4-bromophenyl)-4-(4-methylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrazolo[3,4-b][1,4]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H27BrN4
InChI InChI=1S/C32H27BrN4/c1-24-12-18-29(19-13-24)35-22-27(26-14-16-28(33)17-15-26)20-34-32-31(35)23-36(30-10-6-3-7-11-30)37(32)21-25-8-4-2-5-9-25/h2-20,22H,21,23H2,1H3
InChIKey PWVYXKXLFIYKHJ-UHFFFAOYSA-N
Molecular Weight 547.500 g/mol
SMILES C12=C(N(Cc3ccccc3)N(C1)c1ccccc1)N=CC(=CN2c1ccc(cc1)C)c1ccc(cc1)Br
SPLASH splash10-0002-0000390000-638154cfaa5162e047ab
Source of Spectrum Y-34-1133-3
Wiley ID 1405274