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1-(2-Benzoylbenzyl)-2,4,5-tricyanobenzene
SpectraBase Compound ID KnWtnMy49Fy
InChI InChI=1S/C23H13N3O/c24-13-19-12-21(15-26)20(14-25)11-18(19)10-17-8-4-5-9-22(17)23(27)16-6-2-1-3-7-16/h1-9,11-12H,10H2
InChIKey QIBCCRAIZSEERI-UHFFFAOYSA-N
Mol Weight 347.38 g/mol
Molecular Formula C23H13N3O
Exact Mass 347.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNQgp1KBxcg
Name 1-(2-Benzoylbenzyl)-2,4,5-tricyanobenzene
Alternate Name(s) 5-(2-benzoylbenzyl)-1,2,4-benzenetricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H13N3O
InChI InChI=1S/C23H13N3O/c24-13-19-12-21(15-26)20(14-25)11-18(19)10-17-8-4-5-9-22(17)23(27)16-6-2-1-3-7-16/h1-9,11-12H,10H2
InChIKey QIBCCRAIZSEERI-UHFFFAOYSA-N
Molecular Weight 347.377 g/mol
SMILES C(c1c(Cc2c(C#N)cc(c(c2)C#N)C#N)cccc1)(=O)c1ccccc1
SPLASH splash10-056s-5911000000-ade259370d5bfea4c733
Source of Spectrum AT-37-5550-3
Wiley ID 853585