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N(1)-(4-Oxo-2,5-cyclohexadien-1-ylidenel)-N(2)-(4-nitrophenyl)-2,2,2-trifluoroethanimidamide
SpectraBase Compound ID 1rCcx2XZoQ9
InChI InChI=1S/C14H8F3N3O3/c15-14(16,17)13(19-10-3-7-12(21)8-4-10)18-9-1-5-11(6-2-9)20(22)23/h1-8H/b18-13+
InChIKey SOSXCWKCRILRKH-QGOAFFKASA-N
Mol Weight 323.23 g/mol
Molecular Formula C14H8F3N3O3
Exact Mass 323.051776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bO1Iubf04
Name N(1)-(4-Oxo-2,5-cyclohexadien-1-ylidenel)-N(2)-(4-nitrophenyl)-2,2,2-trifluoroethanimidamide
Alternate Name(s) (1E)-2,2,2-trifluoro-N'-(4-nitrophenyl)-N-(4-oxo-2,5-cyclohexadien-1-ylidene)ethanimidamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8F3N3O3
InChI InChI=1S/C14H8F3N3O3/c15-14(16,17)13(19-10-3-7-12(21)8-4-10)18-9-1-5-11(6-2-9)20(22)23/h1-8H/b18-13+
InChIKey SOSXCWKCRILRKH-QGOAFFKASA-N
Molecular Weight 323.231 g/mol
SMILES C(\C(N=C1C=CC(C=C1)=O)=N/c1ccc(N(=O)=O)cc1)(F)(F)F
SPLASH splash10-0fi0-7098000000-4e13ad01fcf4d2ccc7b3
Source of Spectrum J-59-3013-20
Wiley ID 1322297