For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(2-Benzoyl-3,5-dimethylbenzyl)-2,4,5-tricyanobenzene
SpectraBase Compound ID BpONhR7stcY
InChI InChI=1S/C25H17N3O/c1-16-8-17(2)24(25(29)18-6-4-3-5-7-18)20(9-16)10-19-11-22(14-27)23(15-28)12-21(19)13-26/h3-9,11-12H,10H2,1-2H3
InChIKey LLDUTXCUUWZYJK-UHFFFAOYSA-N
Mol Weight 375.43 g/mol
Molecular Formula C25H17N3O
Exact Mass 375.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID rnjjJ8v4K
Name 1-(2-Benzoyl-3,5-dimethylbenzyl)-2,4,5-tricyanobenzene
Alternate Name(s) 5-(2-benzoyl-3,5-dimethylbenzyl)-1,2,4-benzenetricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17N3O
InChI InChI=1S/C25H17N3O/c1-16-8-17(2)24(25(29)18-6-4-3-5-7-18)20(9-16)10-19-11-22(14-27)23(15-28)12-21(19)13-26/h3-9,11-12H,10H2,1-2H3
InChIKey LLDUTXCUUWZYJK-UHFFFAOYSA-N
Molecular Weight 375.431 g/mol
SMILES c1(c(Cc2c(C#N)cc(c(c2)C#N)C#N)cc(cc1C)C)C(=O)c1ccccc1
SPLASH splash10-0bvi-0309000000-16b787cd947461030d37
Source of Spectrum AT-37-5550-3
Wiley ID 853584