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(E)-3-((1-methyl-1H-indol-3-yl)methyl)-4-(2-nitrophenyl)but-3-en-2-one
SpectraBase Compound ID AnsXAd7PzIF
InChI InChI=1S/C20H18N2O3/c1-14(23)16(11-15-7-3-5-9-19(15)22(24)25)12-17-13-21(2)20-10-6-4-8-18(17)20/h3-11,13H,12H2,1-2H3/b16-11+
InChIKey XKBOOLUREJHKQQ-LFIBNONCSA-N
Mol Weight 334.38 g/mol
Molecular Formula C20H18N2O3
Exact Mass 334.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ydVdbs7WUy
Name (E)-3-((1-methyl-1H-indol-3-yl)methyl)-4-(2-nitrophenyl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O3
InChI InChI=1S/C20H18N2O3/c1-14(23)16(11-15-7-3-5-9-19(15)22(24)25)12-17-13-21(2)20-10-6-4-8-18(17)20/h3-11,13H,12H2,1-2H3/b16-11+
InChIKey XKBOOLUREJHKQQ-LFIBNONCSA-N
Literature Reference DOI 10.1021/jo301313m
Molecular Weight 334.375 g/mol
SMILES c1cc(\C=C/(Cc2c3c([n](c2)C)cccc3)C(=O)C)c(cc1)[N+](=O)[O-]
SPLASH splash10-003u-0095000000-7d040a085fd9cdc845aa
Source of Spectrum J-77-8459-3k
Synonyms (E)-3-[(1-methyl-3-indolyl)methyl]-4-(2-nitrophenyl)-3-buten-2-one
Wiley ID 1747012