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2',4'-Dichloro-4-(p-methoxyphenyl)-4,5,6,7-tetrahydrothiothieno[3,2-C]pyridine-5-carboxanilide

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2',4'-Dichloro-4-(p-methoxyphenyl)-4,5,6,7-tetrahydrothiothieno[3,2-C]pyridine-5-carboxanilide
SpectraBase Compound ID 7f7MLqIXw1D
InChI InChI=1S/C21H18Cl2N2OS2/c1-26-15-5-2-13(3-6-15)20-16-9-11-28-19(16)8-10-25(20)21(27)24-18-7-4-14(22)12-17(18)23/h2-7,9,11-12,20H,8,10H2,1H3,(H,24,27)
InChIKey LJXABOOCDKHDGM-UHFFFAOYSA-N
Mol Weight 449.41 g/mol
Molecular Formula C21H18Cl2N2OS2
Exact Mass 448.023761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RgJIhIk1oS
Name 2',4'-Dichloro-4-(p-methoxyphenyl)-4,5,6,7-tetrahydrothiothieno[3,2-C]pyridine-5-carboxanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.023760955 u
Formula C21H18Cl2N2OS2
InChI InChI=1S/C21H18Cl2N2OS2/c1-26-15-5-2-13(3-6-15)20-16-9-11-28-19(16)8-10-25(20)21(27)24-18-7-4-14(22)12-17(18)23/h2-7,9,11-12,20H,8,10H2,1H3,(H,24,27)
InChIKey LJXABOOCDKHDGM-UHFFFAOYSA-N
Molecular Weight 449.414 g/mol
SMILES N(C1=CC=C(C=C1Cl)Cl)C(N1CCC=2SC=CC2C1C=1C=CC(=CC1)OC)=S