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3-(4-Methoxy-2-methyl-phenyl)-5-methyl-2-thioxo-4-imidazolidinone
SpectraBase Compound ID 5exQtXt5FeR
InChI InChI=1S/C12H14N2O2S/c1-7-6-9(16-3)4-5-10(7)14-11(15)8(2)13-12(14)17/h4-6,8H,1-3H3,(H,13,17)
InChIKey FRCYJIUTLSHCIO-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C12H14N2O2S
Exact Mass 250.077599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65ZaRzbtVy
Name 3-(4-Methoxy-2-methyl-phenyl)-5-methyl-2-thioxo-4-imidazolidinone
CAS Registry Number 78334-97-1
Comments ADDITIONAL SIGNALS AT 16.18 (C12) AND 17.16 PPM (C11) DUE TO ROTATIONAL ISOMERISM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c1-7-6-9(16-3)4-5-10(7)14-11(15)8(2)13-12(14)17/h4-6,8H,1-3H3,(H,13,17)
InChIKey FRCYJIUTLSHCIO-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