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1,3-Bis(3-pyridylmethyl)-2-thiourea

View entire compound with spectra: 2 NMR, and 1 FTIR

1,3-Bis(3-pyridylmethyl)-2-thiourea
SpectraBase Compound ID 94HMWwVVIlv
InChI InChI=1S/C13H14N4S/c18-13(16-9-11-3-1-5-14-7-11)17-10-12-4-2-6-15-8-12/h1-8H,9-10H2,(H2,16,17,18)
InChIKey KWZKQWNJGMWSDK-UHFFFAOYSA-N
Mol Weight 258.34 g/mol
Molecular Formula C13H14N4S
Exact Mass 258.093918 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KxbKxv2H2cd
Name 1,3-Bis(3-pyridylmethyl)-2-thiourea
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 344842
CAS Registry Number 6965-01-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4S
InChI InChI=1S/C13H14N4S/c18-13(16-9-11-3-1-5-14-7-11)17-10-12-4-2-6-15-8-12/h1-8H,9-10H2,(H2,16,17,18)
InChIKey KWZKQWNJGMWSDK-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms bis[(3-pyridylmethyl)amino]methane-1-thione
Wiley ID SIAL_13CNMR_007162