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Methyl (E)-N-(2,4,6-trichlorophenyl)pentanimidothioate
SpectraBase Compound ID Lo7ZZbehxWJ
InChI InChI=1S/C12H14Cl3NS/c1-3-4-5-11(17-2)16-12-9(14)6-8(13)7-10(12)15/h6-7H,3-5H2,1-2H3/b16-11+
InChIKey NLVXJOAQSLLMSZ-LFIBNONCSA-N
Mol Weight 310.67 g/mol
Molecular Formula C12H14Cl3NS
Exact Mass 308.991254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CX6KvKuXOEn
Name Methyl (E)-N-(2,4,6-trichlorophenyl)pentanimidothioate
Appearance Yellow oil
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Exact Mass 308.991253729 u
Formula C12H14Cl3NS
InChI InChI=1S/C12H14Cl3NS/c1-3-4-5-11(17-2)16-12-9(14)6-8(13)7-10(12)15/h6-7H,3-5H2,1-2H3/b16-11+
InChIKey NLVXJOAQSLLMSZ-LFIBNONCSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900903
Molecular Weight 310.670 g/mol
Reported Formula C12H14N(35)Cl3S
SMILES CS\C(CCCC)=N/C1=C(C=C(C=C1Cl)Cl)Cl
SPLASH splash10-08fr-0090000000-8dc5695b391e19b46e6f
Source of Spectrum QE-25-SM12-4c (DOI: 10.1002/chem.201900903)
Wiley ID 1893791