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2H-1-Benzopyran-3-carboxamide, 6-bromo-8-methoxy-2-oxo-N-(4-pyridinylmethyl)-

View entire compound with spectra: 1 NMR

2H-1-Benzopyran-3-carboxamide, 6-bromo-8-methoxy-2-oxo-N-(4-pyridinylmethyl)-
SpectraBase Compound ID 2jzwvBGEyFe
InChI InChI=1S/C17H13BrN2O4/c1-23-14-8-12(18)6-11-7-13(17(22)24-15(11)14)16(21)20-9-10-2-4-19-5-3-10/h2-8H,9H2,1H3,(H,20,21)
InChIKey MHZVBCRSWBNEEU-UHFFFAOYSA-N
Mol Weight 389.21 g/mol
Molecular Formula C17H13BrN2O4
Exact Mass 388.00587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fn0BimTQsJ3
Name 2H-1-Benzopyran-3-carboxamide, 6-bromo-8-methoxy-2-oxo-N-(4-pyridinylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.005869903 u
Formula C17H13BrN2O4
InChI InChI=1S/C17H13BrN2O4/c1-23-14-8-12(18)6-11-7-13(17(22)24-15(11)14)16(21)20-9-10-2-4-19-5-3-10/h2-8H,9H2,1H3,(H,20,21)
InChIKey MHZVBCRSWBNEEU-UHFFFAOYSA-N
Molecular Weight 389.205 g/mol
SMILES C=1(C(OC=2C(C1)=CC(Br)=CC2OC)=O)C(NCC=1C=CN=CC1)=O