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3,6-Dimethyl-2-phenyl-pyrimidine-4(3H)-thione
SpectraBase Compound ID Ix82OOSIhz2
InChI InChI=1S/C12H12N2S/c1-9-8-11(15)14(2)12(13-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey BJDCXIMMXWCYOB-UHFFFAOYSA-N
Mol Weight 216.3 g/mol
Molecular Formula C12H12N2S
Exact Mass 216.07212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EV24opFOVuJ
Name 3,6-Dimethyl-2-phenyl-pyrimidine-4(3H)-thione
CAS Registry Number 114197-32-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12N2S
InChI InChI=1S/C12H12N2S/c1-9-8-11(15)14(2)12(13-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey BJDCXIMMXWCYOB-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference T. Nishio, M. Fujisawa, Y. Omote, J. Chem. Soc. Perkin I 2523 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3