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2-(4-bromophenyl)-2-oxoethyl N'-cyano-N-methylimidothiocarbamate
SpectraBase Compound ID 81fiSmvp9tT
InChI InChI=1S/C11H10BrN3OS/c1-14-11(15-7-13)17-6-10(16)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,14,15)
InChIKey GECGAMBBQUWOOB-UHFFFAOYSA-N
Mol Weight 312.19 g/mol
Molecular Formula C11H10BrN3OS
Exact Mass 310.972796 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vAs2vtNXRb
Name 2-(4-bromophenyl)-2-oxoethyl N'-cyano-N-methylimidothiocarbamate
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Formula C11H10BrN3OS
InChI InChI=1S/C11H10BrN3OS/c1-14-11(15-7-13)17-6-10(16)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,14,15)
InChIKey GECGAMBBQUWOOB-UHFFFAOYSA-N
Molecular Weight 312.185 g/mol
SMILES N(\C(=N\C#N)SCC(c1ccc(Br)cc1)=O)C
SPLASH splash10-08fr-8729000000-9c629e84ad2a5265f1f7
Source of Spectrum IY-1-4269-1
Synonyms Carbamimidothioic acid, N'-cyano-N-methyl-, 2-(4-bromophenyl)-2-oxoethyl ester N-cyano-N'-methylcarbamimidothioic acid [2-(4-bromophenyl)-2-oxoethyl] ester [2-(4-bromophenyl)-2-oxoethyl] N-cyano-N'-methylcarbamimidothioate 2-[2-(4-bromophenyl)-2-oxo-ethyl]-1-cyano-3-methyl-isothiourea [2-(4-bromophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-methyl-carbamimidothioate
Wiley ID 1650686