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N'-(4-Chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioic acid, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

N'-(4-Chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioic acid, methyl ester
SpectraBase Compound ID 4LDUNeBA5CY
InChI InChI=1S/C15H16ClN3S/c1-19(11-12-4-3-9-17-10-12)15(20-2)18-14-7-5-13(16)6-8-14/h3-10H,11H2,1-2H3/b18-15-
InChIKey NKDACMAVHILIPX-SDXDJHTJSA-N
Mol Weight 305.83 g/mol
Molecular Formula C15H16ClN3S
Exact Mass 305.075346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5spQS9ViqdW
Name N'-(4-Chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 305.075346401 u
Formula C15H16ClN3S
InChI InChI=1S/C15H16ClN3S/c1-19(11-12-4-3-9-17-10-12)15(20-2)18-14-7-5-13(16)6-8-14/h3-10H,11H2,1-2H3/b18-15-
InChIKey NKDACMAVHILIPX-SDXDJHTJSA-N
Molecular Weight 305.827 g/mol
SMILES C(N(\C(SC)=N/C1=CC=C(C=C1)Cl)C)C1=CN=CC=C1