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Dimethyl 3-dimethylamino-3-methylthio-4-phenyl-cyclobutene-1,2-di-carboxylate
SpectraBase Compound ID IDqcZUWAAsz
InChI InChI=1S/C17H21NO4S/c1-18(2)17(23-5)13(11-9-7-6-8-10-11)12(15(19)21-3)14(17)16(20)22-4/h6-10,13H,1-5H3
InChIKey OEODOEOXQJTPKU-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5r1h1bAC6CY
Name Dimethyl 3-dimethylamino-3-methylthio-4-phenyl-cyclobutene-1,2-di-carboxylate
CAS Registry Number 66598-14-9
Comments MINOR ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-18(2)17(23-5)13(11-9-7-6-8-10-11)12(15(19)21-3)14(17)16(20)22-4/h6-10,13H,1-5H3
InChIKey OEODOEOXQJTPKU-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference S. Karlsson, J. Sandstroem, Acta Chem. Scand. B32, 141 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3