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3-(2,3-Dimethyl-phenyl)-5-methyl-2-thioxo-4-imidazolidinone
SpectraBase Compound ID 4wYNKf4dSO2
InChI InChI=1S/C12H14N2OS/c1-7-5-4-6-10(8(7)2)14-11(15)9(3)13-12(14)16/h4-6,9H,1-3H3,(H,13,16)
InChIKey QGFKONUHFCRFCF-UHFFFAOYSA-N
Mol Weight 234.32 g/mol
Molecular Formula C12H14N2OS
Exact Mass 234.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6t2PMjca9N5
Name 3-(2,3-Dimethyl-phenyl)-5-methyl-2-thioxo-4-imidazolidinone
CAS Registry Number 78334-96-0
Comments ADDITIONAL SIGNALS AT 181.45 (C1), 16.25 (C12) AND 13.52 (C11) DUE TO ROTATIONAL ISOMERISM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14N2OS
InChI InChI=1S/C12H14N2OS/c1-7-5-4-6-10(8(7)2)14-11(15)9(3)13-12(14)16/h4-6,9H,1-3H3,(H,13,16)
InChIKey QGFKONUHFCRFCF-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference M.A. Khadim, L.D. Colebrook, Org. Magn. Resonance 15, 225 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6