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(2E)-5,5-Dichloro-2-methyl-2,4-pentadienyl N'-cyano-N-phenylimidothiocarbamate
SpectraBase Compound ID 6Ma9etKADXz
InChI InChI=1S/C14H13Cl2N3S/c1-11(7-8-13(15)16)9-20-14(18-10-17)19-12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,18,19)/b11-7+
InChIKey SSODMVZCQREEPH-YRNVUSSQSA-N
Mol Weight 326.25 g/mol
Molecular Formula C14H13Cl2N3S
Exact Mass 325.020724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ONjJSpAVR3
Name (2E)-5,5-Dichloro-2-methyl-2,4-pentadienyl N'-cyano-N-phenylimidothiocarbamate
Alternate Name(s) 1-cyano-2-[(2E)-5,5-dichloro-2-methyl-penta-2,4-dienyl]-3-phenyl-isothiourea 5,5-Dichloro-2-methyl-2,4-pentadienyl N'-cyano-N-phenylimidothiocarbamate N-cyano-N'-phenylcarbamimidothioic acid [(2E)-5,5-dichloro-2-methylpenta-2,4-dienyl] ester [(2E)-5,5-dichloro-2-methylpenta-2,4-dienyl] N-cyano-N'-phenylcarbamimidothioate
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Formula C14H13Cl2N3S
InChI InChI=1S/C14H13Cl2N3S/c1-11(7-8-13(15)16)9-20-14(18-10-17)19-12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,18,19)/b11-7+
InChIKey SSODMVZCQREEPH-YRNVUSSQSA-N
Molecular Weight 326.245 g/mol
SMILES N(\C(=N/C#N)SC\C(=C\C=C(Cl)Cl)C)c1ccccc1
SPLASH splash10-01r6-5920000000-f3f424e85edcdb6887e3
Wiley ID 1439581