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3-Isothiocyano-4S-benzyl-2-oxazolidinone

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3-Isothiocyano-4S-benzyl-2-oxazolidinone
SpectraBase Compound ID CT3SkYg09DA
InChI InChI=1S/C13H12N2O3S/c16-12(7-14-9-19)15-11(8-18-13(15)17)6-10-4-2-1-3-5-10/h1-5,11H,6-8H2
InChIKey JENOFWKBZOOZAT-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jdjo8fhpTM
Name 3-Isothiocyano-4S-benzyl-2-oxazolidinone
CAS Registry Number 136620-86-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c16-12(7-14-9-19)15-11(8-18-13(15)17)6-10-4-2-1-3-5-10/h1-5,11H,6-8H2
InChIKey JENOFWKBZOOZAT-UHFFFAOYSA-N
Literature Reference D.A. Evans, A.E. Weber, J. Am. Chem. Soc. 108, 6757 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3