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(5E)-5-(4-isopropyl-3-nitrobenzylidene)-2-thioxo-4-imidazolidinone
SpectraBase Compound ID EA8Xn9p3ZYC
InChI InChI=1S/C13H13N3O3S/c1-7(2)9-4-3-8(6-11(9)16(18)19)5-10-12(17)15-13(20)14-10/h3-7H,1-2H3,(H2,14,15,17,20)/b10-5+
InChIKey BGKWAIIOIHRQOP-BJMVGYQFSA-N
Mol Weight 291.32 g/mol
Molecular Formula C13H13N3O3S
Exact Mass 291.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PPCxysdMME
Name (5E)-5-(4-Isopropyl-3-nitrobenzylidene)-2-thioxo-4-imidazolidinone
CAS Registry Number 346645-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O3S
InChI InChI=1S/C13H13N3O3S/c1-7(2)9-4-3-8(6-11(9)16(18)19)5-10-12(17)15-13(20)14-10/h3-7H,1-2H3,(H2,14,15,17,20)/b10-5+
InChIKey BGKWAIIOIHRQOP-BJMVGYQFSA-N
Molecular Weight 291.325 g/mol
SMILES N1C(\C(=C/c2cc(N(=O)=O)c(cc2)C(C)C)NC1=S)=O
SPLASH splash10-0fml-0790000000-e4c3849a2c5b1bbf726c
Source of Spectrum AD-0-2532-0
Synonyms (5E)-5-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one (5E)-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-4-imidazolidinone (5E)-5-[(4-isopropyl-3-nitro-phenyl)methylene]-2-thioxo-imidazolidin-4-one Imidazolidine-4-one, 5-(4-isopropyl-3-nitrobenzyliudene)-2-thione- (5E)-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Wiley ID 1431301