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Ethyl-4-chloro-3-cyano-6-(4-(ethoxycarbonyl)phenyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SpectraBase Compound ID HXdQxXCuom7
InChI InChI=1S/C22H20ClN3O5/c1-4-30-21(27)14-8-6-13(7-9-14)19-17(22(28)31-5-2)18(23)16-15(10-24)11-26(12-29-3)20(16)25-19/h6-9,11H,4-5,12H2,1-3H3
InChIKey JXPZSZXAIQXORS-UHFFFAOYSA-N
Mol Weight 441.87 g/mol
Molecular Formula C22H20ClN3O5
Exact Mass 441.109148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ge7W2y87k
Name Ethyl-4-chloro-3-cyano-6-(4-(ethoxycarbonyl)phenyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Alternate Name(s) Ethyl 4-chloro-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 C22H20ClN3O5
InChI InChI=1S/C22H20ClN3O5/c1-4-30-21(27)14-8-6-13(7-9-14)19-17(22(28)31-5-2)18(23)16-15(10-24)11-26(12-29-3)20(16)25-19/h6-9,11H,4-5,12H2,1-3H3
InChIKey JXPZSZXAIQXORS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201303490
Molecular Weight 441.871 g/mol
SMILES c1(c(c2c(c[n](c2nc1-c1ccc(cc1)C(=O)OCC)COC)C#N)Cl)C(=O)OCC
SPLASH splash10-03dj-4000900000-9f2bcb7b0ddf9d44dfc2
Source of Spectrum ACI-52-SM24-22
Wiley ID 1781533