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Ethyl ester of 5,5-Dimethyl-3-(4-methylphenyl)-4-[(methylsulfonyl)imino]-2-thioxo-1-imidazolidinecarboxylic acid
SpectraBase Compound ID LeJHbZaizjV
InChI InChI=1S/C16H21N3O4S2/c1-6-23-15(20)19-14(24)18(12-9-7-11(2)8-10-12)13(16(19,3)4)17-25(5,21)22/h7-10H,6H2,1-5H3/b17-13+
InChIKey ZWWZKEUVGKRWJK-GHRIWEEISA-N
Mol Weight 383.48 g/mol
Molecular Formula C16H21N3O4S2
Exact Mass 383.097349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jx74AexDeKc
Name Ethyl ester of 5,5-Dimethyl-3-(4-methylphenyl)-4-[(methylsulfonyl)imino]-2-thioxo-1-imidazolidinecarboxylic acid
CAS Registry Number 71436-59-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O4S2
InChI InChI=1S/C16H21N3O4S2/c1-6-23-15(20)19-14(24)18(12-9-7-11(2)8-10-12)13(16(19,3)4)17-25(5,21)22/h7-10H,6H2,1-5H3/b17-13+
InChIKey ZWWZKEUVGKRWJK-GHRIWEEISA-N
Molecular Weight 383.481 g/mol
SMILES C1(N(C(\C(N1c1ccc(cc1)C)=N/S(=O)(=O)C)(C)C)C(=O)OCC)=S
SPLASH splash10-001i-0009000000-bdd7c8bc017a2ac9c701
Source of Spectrum J-44-3994-0
Synonyms Ethyl (4E)-5,5-dimethyl-3-(4-methylphenyl)-4-[(methylsulfonyl)imino]-2-thioxo-1-imidazolidinecarboxylate
Wiley ID 1360978