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BBABCVLEKGIJIE-UHFFFAOYSA-N
SpectraBase Compound ID 7pjR2CvgvdZ
InChI InChI=1S/C15H20N2O3S2/c1-16-13(21-3)12(19)17(2)15(22-4,14(16)20)9-10-5-7-11(18)8-6-10/h5-8,13,18H,9H2,1-4H3
InChIKey BBABCVLEKGIJIE-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C15H20N2O3S2
Exact Mass 340.091535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfkVXpvwJ5G
Name 3-([4'-Hydroxy-phenyl]-methyl)-1,4-dimethyl-3,6-bis(methylthio)-piperazine-2,5-dione
CAS Registry Number 77053-26-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H20N2O3S2
InChI InChI=1S/C15H20N2O3S2/c1-16-13(21-3)12(19)17(2)15(22-4,14(16)20)9-10-5-7-11(18)8-6-10/h5-8,13,18H,9H2,1-4H3
InChIKey BBABCVLEKGIJIE-UHFFFAOYSA-N
Literature Reference J.R. Hanson, M.A. O'Leary, J. Chem. Soc. Perkin I 218 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3