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3-(1H-indole-3-carbonyl)cinchoninic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(1H-indole-3-carbonyl)cinchoninic acid methyl ester
SpectraBase Compound ID AXgnjfusFIL
InChI InChI=1S/C20H14N2O3/c1-25-20(24)18-13-7-3-5-9-17(13)22-11-15(18)19(23)14-10-21-16-8-4-2-6-12(14)16/h2-11,21H,1H3
InChIKey ZFTNSZZZUDWFLT-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C20H14N2O3
Exact Mass 330.100442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53A57GfsvEu
Name 3-(1H-Indole-3-carbonyl)cinchoninic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.100442316 u
Formula C20H14N2O3
InChI InChI=1S/C20H14N2O3/c1-25-20(24)18-13-7-3-5-9-17(13)22-11-15(18)19(23)14-10-21-16-8-4-2-6-12(14)16/h2-11,21H,1H3
InChIKey ZFTNSZZZUDWFLT-UHFFFAOYSA-N
Molecular Weight 330.343 g/mol
SMILES C1=NC2=CC=CC=C2C(=C1C(=O)C1=CNC2=C1C=CC=C2)C(=O)OC