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methyl 2-chloro-5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate

View entire compound with spectra: 2 NMR

methyl 2-chloro-5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
SpectraBase Compound ID 6cPinXZyNAQ
InChI InChI=1S/C20H12ClNO4/c1-26-20(25)15-10-12(8-9-16(15)21)22-18(23)13-6-2-4-11-5-3-7-14(17(11)13)19(22)24/h2-10H,1H3
InChIKey QEEOPTAYDATUML-UHFFFAOYSA-N
Mol Weight 365.77 g/mol
Molecular Formula C20H12ClNO4
Exact Mass 365.045486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjDfWwOLHG2
Name Methyl 2-chloro-5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.045485566 u
Formula C20H12ClNO4
InChI InChI=1S/C20H12ClNO4/c1-26-20(25)15-10-12(8-9-16(15)21)22-18(23)13-6-2-4-11-5-3-7-14(17(11)13)19(22)24/h2-10H,1H3
InChIKey QEEOPTAYDATUML-UHFFFAOYSA-N
Molecular Weight 365.772 g/mol
SMILES COC(C=1C=C(N2C(C3=C4C(C=CC=C4C2=O)=CC=C3)=O)C=CC1Cl)=O