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3-C-(4-chloro-3-nitrobenzene)-2-N,4,6-trimethyl-2-N-phenylthieno[2,3-b]pyridine-2,3-diamido
SpectraBase Compound ID AKDCNNzybSN
InChI InChI=1S/C24H19ClN4O4S/c1-13-11-14(2)26-23-19(13)20(21(34-23)24(31)28(3)16-7-5-4-6-8-16)27-22(30)15-9-10-17(25)18(12-15)29(32)33/h4-12H,1-3H3,(H,27,30)
InChIKey CZFHXMMMKHXTQV-UHFFFAOYSA-N
Mol Weight 494.95 g/mol
Molecular Formula C24H19ClN4O4S
Exact Mass 494.081554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQVzxDpNecc
Name 3-C-(4-Chloro-3-nitrobenzene)-2-N,4,6-trimethyl-2-N-phenylthieno[2,3-B]pyridine-2,3-diamido
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.081553978 u
Formula C24H19ClN4O4S
InChI InChI=1S/C24H19ClN4O4S/c1-13-11-14(2)26-23-19(13)20(21(34-23)24(31)28(3)16-7-5-4-6-8-16)27-22(30)15-9-10-17(25)18(12-15)29(32)33/h4-12H,1-3H3,(H,27,30)
InChIKey CZFHXMMMKHXTQV-UHFFFAOYSA-N
Molecular Weight 494.953 g/mol
SMILES C1(=C(C=2C(=CC(=NC2S1)C)C)NC(C=1C=C(N(=O)=O)C(=CC1)Cl)=O)C(N(C=1C=CC=CC1)C)=O