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4-Anilino-2,3-bis(dimethoxycarbonyl)-6-(4-nitro-phenyl)-4H-thiopyran

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Hk8XQVDHwa
Name 4-Anilino-6-(4-nitrophenyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 4-anilino-6-(4-nitrophenyl)-4H-thiopyran-2,3-dicarboxylate Dimethyl 6-(4-nitrophenyl)-4-phenylazanyl-4H-thiopyran-2,3-dicarboxylate
CAS Registry Number 83576-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 426.443 g/mol
SMILES N(C1C(=C(SC(=C1)c1ccc(N(=O)=O)cc1)C(=O)OC)C(=O)OC)c1ccccc1
SPLASH splash10-00or-0089600000-44d87b36e00d003f1e32
Source of Spectrum F-38-1709-0
Wiley ID 1379844