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5-(1,1,2,2-Tetracyanoethyl)-1-(2-methylphenyl)-2-phenyl-4-oxo-4,5,6,7-tetrahydroindole
SpectraBase Compound ID LOf945RYUkD
InChI InChI=1S/C27H19N5O/c1-18-7-5-6-10-23(18)32-24-12-11-22(27(16-30,17-31)20(14-28)15-29)26(33)21(24)13-25(32)19-8-3-2-4-9-19/h2-10,13,20,22H,11-12H2,1H3
InChIKey DGZRTUGHLJABRY-UHFFFAOYSA-N
Mol Weight 429.48 g/mol
Molecular Formula C27H19N5O
Exact Mass 429.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LzzTto3ZSs
Name 5-(1,1,2,2-Tetracyanoethyl)-1-(2-methylphenyl)-2-phenyl-4-oxo-4,5,6,7-tetrahydroindole
CAS Registry Number 106012-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19N5O
InChI InChI=1S/C27H19N5O/c1-18-7-5-6-10-23(18)32-24-12-11-22(27(16-30,17-31)20(14-28)15-29)26(33)21(24)13-25(32)19-8-3-2-4-9-19/h2-10,13,20,22H,11-12H2,1H3
InChIKey DGZRTUGHLJABRY-UHFFFAOYSA-N
Molecular Weight 429.483 g/mol
SMILES c12[n](c(cc2C(=O)C(C(C#N)(C#N)C(C#N)C#N)CC1)-c1ccccc1)-c1c(C)cccc1
SPLASH splash10-0gxw-0259400000-db0aec3228fc822f8fee
Source of Spectrum HC-22-173-0
Synonyms 1-(2-Methylphenyl)-2-phenyl-5-tetracyanoethyl-4-oxo-4,5,6,7-tetrahydroindole 1-[1-(2-methylphenyl)-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-5-yl]-1,1,2,2-ethanetetracarbonitrile
Wiley ID 1381222