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1-(4-Methyl-piperazin-1-yl)-3-o-tolyl-thiourea

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(4-Methyl-piperazin-1-yl)-3-o-tolyl-thiourea
SpectraBase Compound ID FGYdmEUxTix
InChI InChI=1S/C13H20N4S/c1-11-5-3-4-6-12(11)14-13(18)15-17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H2,14,15,18)
InChIKey XFTIYYKQJXSKOD-UHFFFAOYSA-N
Mol Weight 264.39 g/mol
Molecular Formula C13H20N4S
Exact Mass 264.140868 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 90PGdD0U6V8
Name 1-(4-Methyl-piperazin-1-yl)-3-o-tolyl-thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.140867834 u
Formula C13H20N4S
InChI InChI=1S/C13H20N4S/c1-11-5-3-4-6-12(11)14-13(18)15-17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H2,14,15,18)
InChIKey XFTIYYKQJXSKOD-UHFFFAOYSA-N
Molecular Weight 264.391 g/mol
SMILES C(NC1=CC=CC=C1C)(NN1CCN(C)CC1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963084