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O-Ethyl-N-[2-(2-ethyl-1-benzoyl-3-isoureido)ethyl]thiocarbamate
SpectraBase Compound ID 6bV2ypMvvRx
InChI InChI=1S/C15H21N3O3S/c1-3-20-14(16-10-11-17-15(22)21-4-2)18-13(19)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,22)(H,16,18,19)
InChIKey LFBVGQUQBZOXBA-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C15H21N3O3S
Exact Mass 323.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARf12v2qMVm
Name O-Ethyl-N-[2-(2-ethyl-1-benzoyl-3-isoureido)ethyl]thiocarbamate
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Formula C15H21N3O3S
InChI InChI=1S/C15H21N3O3S/c1-3-20-14(16-10-11-17-15(22)21-4-2)18-13(19)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,22)(H,16,18,19)
InChIKey LFBVGQUQBZOXBA-UHFFFAOYSA-N
Molecular Weight 323.411 g/mol
SMILES N(\C(=N\C(=O)c1ccccc1)OCC)CCNC(=S)OCC
SPLASH splash10-0006-0891000000-f52c08295cc61cbe726f
Source of Spectrum SO-0-753-8
Synonyms O-ethyl 2-[((Z)-ethoxy{[(Z)-oxo(phenyl)methyl]imino}methyl)amino]ethylthiocarbamate
Wiley ID 1539062