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6-Bromo-2-(2-cyano-2,2-diphenyl-ethyl)-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 5EOUaUao0i
InChI InChI=1S/C28H25BrN2O3/c1-4-34-27(32)26-21-15-25(33-3)22(29)16-23(21)31(2)24(26)17-28(18-30,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16H,4,17H2,1-3H3
InChIKey SPHQOXBEMAUMMY-UHFFFAOYSA-N
Mol Weight 517.42 g/mol
Molecular Formula C28H25BrN2O3
Exact Mass 516.104856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 382vc2ujChi
Name 6-Bromo-2-(2-cyano-2,2-diphenyl-ethyl)-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25BrN2O3
InChI InChI=1S/C28H25BrN2O3/c1-4-34-27(32)26-21-15-25(33-3)22(29)16-23(21)31(2)24(26)17-28(18-30,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16H,4,17H2,1-3H3
InChIKey SPHQOXBEMAUMMY-UHFFFAOYSA-N
Molecular Weight 517.423 g/mol
SMILES c1(c([n](C)c2c1cc(c(Br)c2)OC)CC(C#N)(c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-00b9-0139000000-050e42e2e395351c922b
Synonyms 6-Bromo-2-(2-cyano-2,2-diphenylethyl)-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester Ethyl 6-bromanyl-2-(2-cyano-2,2-diphenyl-ethyl)-5-methoxy-1-methyl-indole-3-carboxylate Ethyl 6-bromo-2-(2-cyano-2,2-diphenyl-ethyl)-5-methoxy-1-methyl-indole-3-carboxylate Ethyl 6-bromo-2-(2-cyano-2,2-diphenylethyl)-5-methoxy-1-methyl-1H-indole-3-carboxylate
Wiley ID 1436632