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(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-dioxo-2-thianecarboxylic acid ethyl ester
SpectraBase Compound ID aGij60qTad
InChI InChI=1S/C14H16N4O8S/c1-2-26-14(19)13-11(4-3-7-27(13,24)25)16-15-10-6-5-9(17(20)21)8-12(10)18(22)23/h5-6,8,13,15H,2-4,7H2,1H3/b16-11+
InChIKey JWNDMOBVBMVFHH-LFIBNONCSA-N
Mol Weight 400.36 g/mol
Molecular Formula C14H16N4O8S
Exact Mass 400.068885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8C26hHMJrvn
Name (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-dioxo-2-thianecarboxylic acid ethyl ester
Alternate Name(s) (3E)-3-[(2,4-dinitrophenyl)hydrazono]-1,1-diketo-thiane-2-carboxylic acid ethyl ester Ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-bis(oxidanylidene)thiane-2-carboxylate Ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-dioxothiane-2-carboxylate Ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazono]-1,1-dioxo-thiane-2-carboxylate
CAS Registry Number 124187-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N4O8S
InChI InChI=1S/C14H16N4O8S/c1-2-26-14(19)13-11(4-3-7-27(13,24)25)16-15-10-6-5-9(17(20)21)8-12(10)18(22)23/h5-6,8,13,15H,2-4,7H2,1H3/b16-11+
InChIKey JWNDMOBVBMVFHH-LFIBNONCSA-N
Molecular Weight 400.362 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)\N=C\1C(S(=O)(=O)CCC1)C(=O)OCC
SPLASH splash10-0f6x-0097200000-cacbacef28d68a5c7ed3
Source of Spectrum Y-26-186-4
Wiley ID 1369192