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2-( 4'-Bromophenyl)-5-cyano-7-benzoyl-4a,5,6,7-tetrahydro-4aH-pyrrolo[1,2-b]pyridazine
SpectraBase Compound ID G6fBqCNVjA6
InChI InChI=1S/C21H16BrN3O/c22-17-8-6-14(7-9-17)18-10-11-19-16(13-23)12-20(25(19)24-18)21(26)15-4-2-1-3-5-15/h1-11,16,19-20H,12H2
InChIKey OXROMVGWPGHSST-UHFFFAOYSA-N
Mol Weight 406.28 g/mol
Molecular Formula C21H16BrN3O
Exact Mass 405.047675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 956aNwMFaqg
Name 2-( 4'-Bromophenyl)-5-cyano-7-benzoyl-4a,5,6,7-tetrahydro-4aH-pyrrolo[1,2-b]pyridazine
Alternate Name(s) 7-Benzoyl-2-(4-bromophenyl)-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16BrN3O
InChI InChI=1S/C21H16BrN3O/c22-17-8-6-14(7-9-17)18-10-11-19-16(13-23)12-20(25(19)24-18)21(26)15-4-2-1-3-5-15/h1-11,16,19-20H,12H2
InChIKey OXROMVGWPGHSST-UHFFFAOYSA-N
Molecular Weight 406.283 g/mol
SMILES C1(=NN2C(C=C1)C(C#N)CC2C(=O)c1ccccc1)c1ccc(cc1)Br
SPLASH splash10-0kcr-4965200000-a8057c0da98050b7f3bb
Source of Spectrum SB-51-930-9
Wiley ID 1371711