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2-tert-Butyl-1-keto-5-phenyl-1,2,5-thiadiazolidine-3,4-quinone

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2-tert-Butyl-1-keto-5-phenyl-1,2,5-thiadiazolidine-3,4-quinone
SpectraBase Compound ID GT57uZFmUdX
InChI InChI=1S/C12H14N2O3S/c1-12(2,3)14-11(16)10(15)13(18(14)17)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey XCTKXDHXLYQVIW-UHFFFAOYSA-N
Mol Weight 266.31 g/mol
Molecular Formula C12H14N2O3S
Exact Mass 266.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CX3rbaeth9H
Name 2-tert-Butyl-5-phenyl-1.lambda./4/2,5-thiadiazolidine-3,4-dione 1-oxide
CAS Registry Number 62933-75-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14N2O3S
InChI InChI=1S/C12H14N2O3S/c1-12(2,3)14-11(16)10(15)13(18(14)17)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey XCTKXDHXLYQVIW-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference R. Neidlein, P. Leinberger, Chem. Ber. 110, 3149 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3