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NNDRQBDSBYYDAG-NTMALXAHSA-N
SpectraBase Compound ID IbcisqS94LO
InChI InChI=1S/C11H12O2S/c1-2-13-11(14)8-10(12)9-6-4-3-5-7-9/h3-8,12H,2H2,1H3/b10-8-
InChIKey NNDRQBDSBYYDAG-NTMALXAHSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96ZECypUSR2
Name O-Ethyl benzoyl-thioacetate enol form
CAS Registry Number 53587-77-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-2-13-11(14)8-10(12)9-6-4-3-5-7-9/h3-8,12H,2H2,1H3/b10-8-
InChIKey NNDRQBDSBYYDAG-NTMALXAHSA-N
Instrument Name Bruker HX-90
Literature Reference A.J. Bridges, G.H. Witham, J. Chem. Soc. Perkin I 1603 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3