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1H-indole-3-carboxylic acid, 1-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-, ethyl ester
SpectraBase Compound ID 4nCyuMap8B6
InChI InChI=1S/C20H22N2O3/c1-5-25-20(24)19-13(2)22(18-11-10-16(23)12-17(18)19)15-8-6-14(7-9-15)21(3)4/h6-12,23H,5H2,1-4H3
InChIKey KZCLSHSJZWDIOR-UHFFFAOYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hjW6v7SFE1
Name 1H-Indole-3-carboxylic acid, 1-[4-(dimethylamino)phenyl]-5-hydroxy-2-methyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.163042573 u
Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c1-5-25-20(24)19-13(2)22(18-11-10-16(23)12-17(18)19)15-8-6-14(7-9-15)21(3)4/h6-12,23H,5H2,1-4H3
InChIKey KZCLSHSJZWDIOR-UHFFFAOYSA-N
Molecular Weight 338.407 g/mol
SMILES OC1=CC=2C(=C(N(C3=CC=C(C=C3)N(C)C)C2C=C1)C)C(=O)OCC