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S-Methyl (E)-([(E)-(4-chlorophenyl)(oxo)methyl]imino)(propylamino)methylthiocarbamate
SpectraBase Compound ID KyWErhUd5Ai
InChI InChI=1S/C13H16ClN3O2S/c1-3-8-15-12(17-13(19)20-2)16-11(18)9-4-6-10(14)7-5-9/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKey OTTIXZQJGXQSHO-UHFFFAOYSA-N
Mol Weight 313.8 g/mol
Molecular Formula C13H16ClN3O2S
Exact Mass 313.065176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33zafqLbOFo
Name CARBAMOTHIOIC ACID, [[(4-CHLOROBENZOYL)AMINO](PROPYLAMINO)METHYLENE]-, S-METHYL ESTER
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Formula C13H16ClN3O2S
InChI InChI=1S/C13H16ClN3O2S/c1-3-8-15-12(17-13(19)20-2)16-11(18)9-4-6-10(14)7-5-9/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKey OTTIXZQJGXQSHO-UHFFFAOYSA-N
Instrument Name CH5
Molecular Weight 313.0649
SMILES N(\C(=N\C(c1ccc(Cl)cc1)=O)NCCC)C(=O)SC
SPLASH splash10-00ku-3920000000-cc8cea64baee78a8fe9a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany