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3-(7-(1-Benzyl-4-ethyl)indolyl)but-2-enoic acid methyl ester
SpectraBase Compound ID 7B6vP3kqEF2
InChI InChI=1S/C22H23NO2/c1-4-18-10-11-19(16(2)14-21(24)25-3)22-20(18)12-13-23(22)15-17-8-6-5-7-9-17/h5-14H,4,15H2,1-3H3/b16-14+
InChIKey IADICLQXPLYHFO-JQIJEIRASA-N
Mol Weight 333.43 g/mol
Molecular Formula C22H23NO2
Exact Mass 333.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tdmV0upfN4
Name 3-(7-(1-Benzyl-4-ethyl)indolyl)but-2-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO2
InChI InChI=1S/C22H23NO2/c1-4-18-10-11-19(16(2)14-21(24)25-3)22-20(18)12-13-23(22)15-17-8-6-5-7-9-17/h5-14H,4,15H2,1-3H3/b16-14+
InChIKey IADICLQXPLYHFO-JQIJEIRASA-N
Molecular Weight 333.431 g/mol
SMILES c12[n](ccc1c(ccc2\C(=C\C(=O)OC)C)CC)Cc1ccccc1
SPLASH splash10-000x-8279000000-80413195a3d84cf68dbc
Source of Spectrum F-51-1172-10
Synonyms Methyl (2E)-3-(1-benzyl-4-ethyl-1H-indol-7-yl)-2-butenoate
Wiley ID 790794