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1-(4-Methylphenyl)-2-phenyl-5-tetracyanoethyl-4-oxo-4,5,6,7-tetrahydroindole
SpectraBase Compound ID Bc48yxfht0J
InChI InChI=1S/C27H19N5O/c1-18-7-9-21(10-8-18)32-24-12-11-23(27(16-30,17-31)20(14-28)15-29)26(33)22(24)13-25(32)19-5-3-2-4-6-19/h2-10,13,20,23H,11-12H2,1H3
InChIKey QZQTVNWQVUDNKK-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 9nJ2sBLnYFK
Name 1-(4-Methylphenyl)-2-phenyl-5-tetracyanoethyl-4-oxo-4,5,6,7-tetrahydroindole
Alternate Name(s) 5-(1,1,2,2-Tetracyanoethyl)-1-(4-methylphenyl)-2-phenyl-4-oxo-4,5,6,7-tetrahydroindole 1-[1-(4-methylphenyl)-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-5-yl]-1,1,2,2-ethanetetracarbonitrile
CAS Registry Number 106012-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19N5O
InChI InChI=1S/C27H19N5O/c1-18-7-9-21(10-8-18)32-24-12-11-23(27(16-30,17-31)20(14-28)15-29)26(33)22(24)13-25(32)19-5-3-2-4-6-19/h2-10,13,20,23H,11-12H2,1H3
InChIKey QZQTVNWQVUDNKK-UHFFFAOYSA-N
Molecular Weight 429.483 g/mol
SMILES c12c([n](-c3ccc(cc3)C)c(c1)-c1ccccc1)CCC(C(C#N)(C#N)C(C#N)C#N)C2=O
SPLASH splash10-052f-5900000000-4bcc5af95fa49d2db2bf
Source of Spectrum W5-1989-38337-27199
Wiley ID 1381226