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2,6-Bis(1,1-dimethylethyl)-4-[(3-nitrophenyl)imino]-2,5-cyclohexadien-1-one
SpectraBase Compound ID Dq3Ydzd0McR
InChI InChI=1S/C20H24N2O3/c1-19(2,3)16-11-14(12-17(18(16)23)20(4,5)6)21-13-8-7-9-15(10-13)22(24)25/h7-12H,1-6H3
InChIKey XFNAPIHRNOQXOX-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7I19OQfBxkQ
Name 2,6-Bis(1,1-dimethylethyl)-4-[(3-nitrophenyl)imino]-2,5-cyclohexadien-1-one
Alternate Name(s) 2,6-Ditert-butyl-4-[(3-nitrophenyl)imino]-2,5-cyclohexadien-1-one
CAS Registry Number 97211-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c1-19(2,3)16-11-14(12-17(18(16)23)20(4,5)6)21-13-8-7-9-15(10-13)22(24)25/h7-12H,1-6H3
InChIKey XFNAPIHRNOQXOX-UHFFFAOYSA-N
Molecular Weight 340.423 g/mol
SMILES C=1(C(C(C(C)(C)C)=CC(C1)=Nc1cc(N(=O)=O)ccc1)=O)C(C)(C)C
SPLASH splash10-0596-9002000000-e48f68036244ba7b1789
Source of Spectrum J-50-3094-12
Wiley ID 1335314