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Ethyl-2,4-dichloro-3-cyano-6-(4-(ethoxycarbonyl)phenyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SpectraBase Compound ID ChsUptl2Zb5
InChI InChI=1S/C22H19Cl2N3O5/c1-4-31-21(28)13-8-6-12(7-9-13)18-16(22(29)32-5-2)17(23)15-14(10-25)19(24)27(11-30-3)20(15)26-18/h6-9H,4-5,11H2,1-3H3
InChIKey KBCKKLIMOOCSLX-UHFFFAOYSA-N
Mol Weight 476.32 g/mol
Molecular Formula C22H19Cl2N3O5
Exact Mass 475.070176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DA1PnvZRNzU
Name Ethyl-2,4-dichloro-3-cyano-6-(4-(ethoxycarbonyl)phenyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Alternate Name(s) Ethyl 2,4-dichloro-3-cyano-6-(4-(ethoxycarbonyl)phenyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19Cl2N3O5
InChI InChI=1S/C22H19Cl2N3O5/c1-4-31-21(28)13-8-6-12(7-9-13)18-16(22(29)32-5-2)17(23)15-14(10-25)19(24)27(11-30-3)20(15)26-18/h6-9H,4-5,11H2,1-3H3
InChIKey KBCKKLIMOOCSLX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201303490
Molecular Weight 476.316 g/mol
SMILES c1(c(c2c(c([n](c2nc1-c1ccc(cc1)C(=O)OCC)COC)Cl)C#N)Cl)C(=O)OCC
SPLASH splash10-0002-9000600000-83984aa37ba01efc21d9
Source of Spectrum ACI-52-SM23-21
Wiley ID 1781532