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(5E)-1-tert-Butyl-5-[(5-nitro-2-thienyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID JWNhYzLycDL
InChI InChI=1S/C13H13N3O5S/c1-13(2,3)15-11(18)8(10(17)14-12(15)19)6-7-4-5-9(22-7)16(20)21/h4-6H,1-3H3,(H,14,17,19)/b8-6+
InChIKey IIQYJSUPWQNWSP-SOFGYWHQSA-N
Mol Weight 323.32 g/mol
Molecular Formula C13H13N3O5S
Exact Mass 323.057592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEgD3DPJivj
Name (5E)-1-tert-Butyl-5-[(5-nitro-2-thienyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CAS Registry Number 346612-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O5S
InChI InChI=1S/C13H13N3O5S/c1-13(2,3)15-11(18)8(10(17)14-12(15)19)6-7-4-5-9(22-7)16(20)21/h4-6H,1-3H3,(H,14,17,19)/b8-6+
InChIKey IIQYJSUPWQNWSP-SOFGYWHQSA-N
Molecular Weight 323.323 g/mol
SMILES N1C(\C(C(N(C1=O)C(C)(C)C)=O)=C\c1sc(N(=O)=O)cc1)=O
SPLASH splash10-0603-9460000000-e1f0462ad41bd8ee16c9
Source of Spectrum AD-0-2532-0
Synonyms (5E)-1-tert-butyl-5-[(5-nitro-2-thienyl)methylene]barbituric acid (5E)-1-tert-butyl-5-[(5-nitro-2-thienyl)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-tert-butyl-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione (5E)-1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(1,1-dimethylethyl)-5-[(5-nitro-2-thienyl)methylene]-
Wiley ID 1429688