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5-(1,1,2,2-Tetracyanoethyl)-1-(4-bromophenyl)-2-phenyl-4-oxo-4,5,6,7-tetrahydroindole

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5-(1,1,2,2-Tetracyanoethyl)-1-(4-bromophenyl)-2-phenyl-4-oxo-4,5,6,7-tetrahydroindole
SpectraBase Compound ID 4LMMcHeaV6c
InChI InChI=1S/C26H16BrN5O/c27-19-6-8-20(9-7-19)32-23-11-10-22(26(15-30,16-31)18(13-28)14-29)25(33)21(23)12-24(32)17-4-2-1-3-5-17/h1-9,12,18,22H,10-11H2
InChIKey NKOABXTWCUWRJP-UHFFFAOYSA-N
Mol Weight 494.35 g/mol
Molecular Formula C26H16BrN5O
Exact Mass 493.053823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9w3sqmCU3Gp
Name 5-(1,1,2,2-Tetracyanoethyl)-1-(4-bromophenyl)-2-phenyl-4-oxo-4,5,6,7-tetrahydroindole
Alternate Name(s) 1-[1-(4-bromophenyl)-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-5-yl]-1,1,2,2-ethanetetracarbonitrile
CAS Registry Number 106012-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H16BrN5O
InChI InChI=1S/C26H16BrN5O/c27-19-6-8-20(9-7-19)32-23-11-10-22(26(15-30,16-31)18(13-28)14-29)25(33)21(23)12-24(32)17-4-2-1-3-5-17/h1-9,12,18,22H,10-11H2
InChIKey NKOABXTWCUWRJP-UHFFFAOYSA-N
Molecular Weight 494.352 g/mol
SMILES c12c([n](-c3ccc(cc3)Br)c(c1)-c1ccccc1)CCC(C(C#N)(C#N)C(C#N)C#N)C2=O
SPLASH splash10-014i-0902100000-5809b38ec1a98940dfc8
Source of Spectrum W5-1989-38338-27198
Wiley ID 1397718