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benzoic acid, 4-[(E)-[1-(1-naphthalenyl)-2,5-dioxo-3-pyrrolidinylidene]methyl]-, methyl ester
SpectraBase Compound ID 5FFIZjBq4Ln
InChI InChI=1S/C23H17NO4/c1-28-23(27)17-11-9-15(10-12-17)13-18-14-21(25)24(22(18)26)20-8-4-6-16-5-2-3-7-19(16)20/h2-13H,14H2,1H3/b18-13+
InChIKey YKTXGPIXDFCPBX-QGOAFFKASA-N
Mol Weight 371.39 g/mol
Molecular Formula C23H17NO4
Exact Mass 371.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zgT54HeXvf
Name Benzoic acid, 4-[(E)-[1-(1-naphthalenyl)-2,5-dioxo-3-pyrrolidinylidene]methyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.115758027 u
Formula C23H17NO4
InChI InChI=1S/C23H17NO4/c1-28-23(27)17-11-9-15(10-12-17)13-18-14-21(25)24(22(18)26)20-8-4-6-16-5-2-3-7-19(16)20/h2-13H,14H2,1H3/b18-13+
InChIKey YKTXGPIXDFCPBX-QGOAFFKASA-N
Molecular Weight 371.392 g/mol
SMILES C=1C=CC2=C(N3C(\C(=C\C=4C=CC(C(=O)OC)=CC4)CC3=O)=O)C=CC=C2C1