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2-(4-Bromophenyl)-2-oxoethyl 3-(3-hydroxy-2-quinoxalinyl)propanoate
SpectraBase Compound ID D7dRfsFEKkZ
InChI InChI=1S/C19H15BrN2O4/c20-13-7-5-12(6-8-13)17(23)11-26-18(24)10-9-16-19(25)22-15-4-2-1-3-14(15)21-16/h1-8H,9-11H2,(H,22,25)
InChIKey XEEJCSJJXDTZDE-UHFFFAOYSA-N
Mol Weight 415.24 g/mol
Molecular Formula C19H15BrN2O4
Exact Mass 414.02152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IOg4jfMPFh
Name 2-(4-Bromophenyl)-2-oxoethyl 3-(3-hydroxy-2-quinoxalinyl)propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.021519967 u
Formula C19H15BrN2O4
InChI InChI=1S/C19H15BrN2O4/c20-13-7-5-12(6-8-13)17(23)11-26-18(24)10-9-16-19(25)22-15-4-2-1-3-14(15)21-16/h1-8H,9-11H2,(H,22,25)
InChIKey XEEJCSJJXDTZDE-UHFFFAOYSA-N
Molecular Weight 415.243 g/mol
SMILES OC1=NC=2C(N=C1CCC(OCC(C1=CC=C(C=C1)Br)=O)=O)=CC=CC2