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Ethyl 4-(2,4,4-trimethylpentan-2-ylamino)-2-dicyanomethylene-2,3-dihydro-3-(4-nitrophenyl)thiazole-5-carboxylate
SpectraBase Compound ID CWvJ9LhHO6y
InChI InChI=1S/C23H27N5O4S/c1-7-32-21(29)18-19(26-23(5,6)14-22(2,3)4)27(20(33-18)15(12-24)13-25)16-8-10-17(11-9-16)28(30)31/h8-11,26H,7,14H2,1-6H3
InChIKey NSNIQLNIRIDPTJ-UHFFFAOYSA-N
Mol Weight 469.56 g/mol
Molecular Formula C23H27N5O4S
Exact Mass 469.178376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsENRPvGQDo
Name Ethyl 4-(2,4,4-trimethylpentan-2-ylamino)-2-dicyanomethylene-2,3-dihydro-3-(4-nitrophenyl)thiazole-5-carboxylate
Alternate Name(s) Ethyl 2-(dicyanomethylene)-3-(4-nitrophenyl)-4-((2,4,4-trimethylpentan-2-yl)amino)-2,3-dihydrothiazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N5O4S
InChI InChI=1S/C23H27N5O4S/c1-7-32-21(29)18-19(26-23(5,6)14-22(2,3)4)27(20(33-18)15(12-24)13-25)16-8-10-17(11-9-16)28(30)31/h8-11,26H,7,14H2,1-6H3
InChIKey NSNIQLNIRIDPTJ-UHFFFAOYSA-N
Molecular Weight 469.560 g/mol
SMILES N(C=1N(C(SC1C(=O)OCC)=C(C#N)C#N)c1ccc(N(=O)=O)cc1)C(CC(C)(C)C)(C)C
SPLASH splash10-0ar1-2930000000-40aaa2cc0265450f008a
Source of Spectrum F-69-2465-6g
Wiley ID 1737784