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2-(hexahydro-3-methyl-2-thioxo-1-pyrimidinyl)nicotinonitrile

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

2-(hexahydro-3-methyl-2-thioxo-1-pyrimidinyl)nicotinonitrile
SpectraBase Compound ID DTate3panyU
InChI InChI=1S/C11H12N4S/c1-14-6-3-7-15(11(14)16)10-9(8-12)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3
InChIKey LQXQYMSREUJLGS-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C11H12N4S
Exact Mass 232.078268 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4sFHeq72LbP
Name 2-(HEXAHYDRO-3-METHYL-2-THIOXO-1-PYRIMIDINYL)NICOTINONITRILE
Source of Sample G. M. Coppola, Sandoz, Inc., East Hanover, New Jersey
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N4S
InChI InChI=1S/C11H12N4S/c1-14-6-3-7-15(11(14)16)10-9(8-12)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3
InChIKey LQXQYMSREUJLGS-UHFFFAOYSA-N
Literature Reference J. HETEROCYCLIC CHEM. 18, 495(1981) Abstract-Chemical Abstracts= 95, 97716(1981)
Melting Point 150-153C
Molecular Weight 232.304993
Synonyms NICOTINONITRILE, 2-/HEXAHYDRO- 3-METHYL-2-THIOXO-1-PYRIMIDINYL/-,
Technique FILM (CAST FROM CHCl3)