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4H-1-benzopyran-2-carboxamide, N-[4-(4-ethoxyphenyl)-2-thiazolyl]-4-oxo-
SpectraBase Compound ID 1XZrvsMahR9
InChI InChI=1S/C21H16N2O4S/c1-2-26-14-9-7-13(8-10-14)16-12-28-21(22-16)23-20(25)19-11-17(24)15-5-3-4-6-18(15)27-19/h3-12H,2H2,1H3,(H,22,23,25)
InChIKey ZRQXDZSZYQSHKI-UHFFFAOYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C21H16N2O4S
Exact Mass 392.083078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Srke8pU31A
Name 4H-1-Benzopyran-2-carboxamide, N-[4-(4-ethoxyphenyl)-2-thiazolyl]-4-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.083078173 u
Formula C21H16N2O4S
InChI InChI=1S/C21H16N2O4S/c1-2-26-14-9-7-13(8-10-14)16-12-28-21(22-16)23-20(25)19-11-17(24)15-5-3-4-6-18(15)27-19/h3-12H,2H2,1H3,(H,22,23,25)
InChIKey ZRQXDZSZYQSHKI-UHFFFAOYSA-N
Molecular Weight 392.429 g/mol
SMILES N(C1=NC(C=2C=CC(=CC2)OCC)=CS1)C(C1=CC(=O)C2=C(O1)C=CC=C2)=O