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Benzonitrile, 4-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]-
SpectraBase Compound ID FQlwhvqcPZw
InChI InChI=1S/C23H28N2O2/c1-5-22(6-2,19-11-9-18(17-24)10-12-19)23(7-3,8-4)20-13-15-21(16-14-20)25(26)27/h9-16H,5-8H2,1-4H3
InChIKey AXQGAILPALVBCR-UHFFFAOYSA-N
Mol Weight 364.49 g/mol
Molecular Formula C23H28N2O2
Exact Mass 364.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Be3bVlVSN8i
Name Benzonitrile, 4-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]-
Alternate Name(s) 3,4-Diethyl-3-(4'-nitrophenyl)-4-(4''-cyanophenyl)hexane 4-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]benzonitrile
CAS Registry Number 122148-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O2
InChI InChI=1S/C23H28N2O2/c1-5-22(6-2,19-11-9-18(17-24)10-12-19)23(7-3,8-4)20-13-15-21(16-14-20)25(26)27/h9-16H,5-8H2,1-4H3
InChIKey AXQGAILPALVBCR-UHFFFAOYSA-N
Molecular Weight 364.489 g/mol
SMILES c1(N(=O)=O)ccc(C(C(c2ccc(C#N)cc2)(CC)CC)(CC)CC)cc1
SPLASH splash10-0gc3-0900000000-f17fb0cd99b896ca6ce5
Source of Spectrum J-55-4557-1
Wiley ID 1351102