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Acetic acid, 2-(2-methyl-4-nitro-5-imidazolylthio)-, ethyl ester
SpectraBase Compound ID Fm4JflRlaL
InChI InChI=1S/C8H11N3O4S/c1-3-15-6(12)4-16-8-7(11(13)14)9-5(2)10-8/h3-4H2,1-2H3,(H,9,10)
InChIKey JAKRSOSIUMRBPL-UHFFFAOYSA-N
Mol Weight 245.25 g/mol
Molecular Formula C8H11N3O4S
Exact Mass 245.047027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0riiAgxRnk
Name Acetic acid, 2-(2-methyl-4-nitro-5-imidazolylthio)-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11N3O4S
InChI InChI=1S/C8H11N3O4S/c1-3-15-6(12)4-16-8-7(11(13)14)9-5(2)10-8/h3-4H2,1-2H3,(H,9,10)
InChIKey JAKRSOSIUMRBPL-UHFFFAOYSA-N
Molecular Weight 245.253 g/mol
SMILES [nH]1c(c(nc1C)N(=O)=O)SCC(=O)OCC
SPLASH splash10-0006-9200000000-f0afeae518652133f918
Source of Spectrum AD-0-2532-0
Synonyms 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]acetic acid ethyl ester Ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate Ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]ethanoate
Wiley ID 1428587