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5-Phenyl-2-tert-butyl-1-oxo-1,2,5-thiadiazolidin-3-one

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5-Phenyl-2-tert-butyl-1-oxo-1,2,5-thiadiazolidin-3-one
SpectraBase Compound ID 85vci3jTJKS
InChI InChI=1S/C12H16N2O2S/c1-12(2,3)14-11(15)9-13(17(14)16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey DMYXOMBAABINMJ-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C12H16N2O2S
Exact Mass 252.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkZIwzvzoSi
Name 5-Phenyl-2-tert-butyl-1-oxo-1,2,5-thiadiazolidin-3-one
CAS Registry Number 61218-58-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16N2O2S
InChI InChI=1S/C12H16N2O2S/c1-12(2,3)14-11(15)9-13(17(14)16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey DMYXOMBAABINMJ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J.A. Deyrup, H.L. Gingrich, J. Org. Chem. 42, 1015 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3