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(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-oxo-2-thianecarboxylic acid ethyl ester
SpectraBase Compound ID 38Rq7DNgGil
InChI InChI=1S/C14H16N4O7S/c1-2-25-14(19)13-11(4-3-7-26(13)24)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 UEKOQSAWJLGANM-LFIBNONCSA-N
Mol Weight 384.36 g/mol
Molecular Formula C14H16N4O7S
Exact Mass 384.07397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHNc5ew9r6W
Name (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-oxo-2-thianecarboxylic acid ethyl ester
Alternate Name(s) (3E)-3-[(2,4-dinitrophenyl)hydrazono]-1-keto-thiane-2-carboxylic acid ethyl ester Ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-oxidanylidene-thiane-2-carboxylate Ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-oxothiane-2-carboxylate Ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazono]-1-oxo-thiane-2-carboxylate
CAS Registry Number 124187-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N4O7S
InChI InChI=1S/C14H16N4O7S/c1-2-25-14(19)13-11(4-3-7-26(13)24)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 UEKOQSAWJLGANM-LFIBNONCSA-N
Molecular Weight 384.363 g/mol
SMILES N(\N=C\1C(S(=O)CCC1)C(=O)OCC)c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-014i-0009000000-819f87dbc4c0bee25996
Source of Spectrum Y-26-186-3
Wiley ID 1361289