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S-Methyl-N-(1-methylpiperidin-2-yliden)-N'-phenyl-isothiourea

View entire compound with spectra: 1 FTIR

S-Methyl-N-(1-methylpiperidin-2-yliden)-N'-phenyl-isothiourea
SpectraBase Compound ID I5S8CEs6gm7
InChI InChI=1S/C14H19N3S/c1-17-11-7-6-10-13(17)16-14(18-2)15-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3/b15-14-,16-13+
InChIKey DPFGJSNBVONZSV-AILVWVMCSA-N
Mol Weight 261.39 g/mol
Molecular Formula C14H19N3S
Exact Mass 261.129969 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LBLXbGONV5Z
Name S-Methyl-N-(1-methylpiperidin-2-yliden)-N'-phenyl-isothiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.129968798 u
Formula C14H19N3S
InChI InChI=1S/C14H19N3S/c1-17-11-7-6-10-13(17)16-14(18-2)15-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3/b15-14-,16-13+
InChIKey DPFGJSNBVONZSV-AILVWVMCSA-N
Molecular Weight 261.387 g/mol
SMILES C1\C(N(CCC1)C)=N/C(SC)=N/C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901963