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5-Hydroxy-1,3-dimethyl-imidazol-4-on-2-thione

View entire compound with spectra: 1 NMR

5-Hydroxy-1,3-dimethyl-imidazol-4-on-2-thione
SpectraBase Compound ID 2hm1csauZQa
InChI InChI=1S/C17H22N2O7S/c1-8-11(20)12(21)13(22)14(25-8)26-10-6-4-9(5-7-10)17(24)15(23)18(2)16(27)19(17)3/h4-8,11-14,20-22,24H,1-3H3
InChIKey GMWQWMAJFVHRRD-UHFFFAOYSA-N
Mol Weight 398.43 g/mol
Molecular Formula C17H22N2O7S
Exact Mass 398.114772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPEVyrOTcZF
Name 5-Hydroxy-1,3-dimethyl-imidazol-4-on-2-thione
CAS Registry Number 73957-91-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22N2O7S
InChI InChI=1S/C17H22N2O7S/c1-8-11(20)12(21)13(22)14(25-8)26-10-6-4-9(5-7-10)17(24)15(23)18(2)16(27)19(17)3/h4-8,11-14,20-22,24H,1-3H3
InChIKey GMWQWMAJFVHRRD-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference W.J. McGahren, J.H. Martin, G.O.Morton, J. Am. Chem. Soc. 102, 1671 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3