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3-(2,6-diethylphenyl)-2-thiohydantoin

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3-(2,6-diethylphenyl)-2-thiohydantoin
SpectraBase Compound ID Jq8m5VbKkrr
InChI InChI=1S/C13H16N2OS/c1-3-9-6-5-7-10(4-2)12(9)15-11(16)8-14-13(15)17/h5-7H,3-4,8H2,1-2H3,(H,14,17)
InChIKey CTMBFIQOXSELPV-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C13H16N2OS
Exact Mass 248.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7inxUCfZZmI
Name 3-(2,6-Diethyl-phenyl)-imidazol-4-one-2-thione
CAS Registry Number 76144-71-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16N2OS
InChI InChI=1S/C13H16N2OS/c1-3-9-6-5-7-10(4-2)12(9)15-11(16)8-14-13(15)17/h5-7H,3-4,8H2,1-2H3,(H,14,17)
InChIKey CTMBFIQOXSELPV-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference R. Buchman, R.A. Komoroski, J. Heterocycl. Chem. 17, 1089 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6