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4-Anilino-2,3-bis(dimethoxycarbonyl)-6-(4-nitro-phenyl)-4H-thiopyran
SpectraBase Compound ID 6SZIHTsVGgN
InChI InChI=1S/C21H18N2O6S/c1-28-20(24)18-16(22-14-6-4-3-5-7-14)12-17(30-19(18)21(25)29-2)13-8-10-15(11-9-13)23(26)27/h3-12,16,22H,1-2H3
InChIKey XZBJCDAUDWRWTB-UHFFFAOYSA-N
Mol Weight 426.44 g/mol
Molecular Formula C21H18N2O6S
Exact Mass 426.088557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mIpSiCq4fc
Name 4-Anilino-2,3-bis(dimethoxycarbonyl)-6-(4-nitro-phenyl)-4H-thiopyran
CAS Registry Number 83576-09-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H18N2O6S
InChI InChI=1S/C21H18N2O6S/c1-28-20(24)18-16(22-14-6-4-3-5-7-14)12-17(30-19(18)21(25)29-2)13-8-10-15(11-9-13)23(26)27/h3-12,16,22H,1-2H3
InChIKey XZBJCDAUDWRWTB-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.B. Rasmussen, R. Shabana, S.O. Lawesson, Tetrahedron 38, 1705 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3