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3-((5-methoxy-1H-indol-3-yl)methyl)-4-(2-nitrophenyl)-but-3-en-2-one
SpectraBase Compound ID Bbpd57mr7QE
InChI InChI=1S/C20H18N2O4/c1-13(23)15(9-14-5-3-4-6-20(14)22(24)25)10-16-12-21-19-8-7-17(26-2)11-18(16)19/h3-9,11-12,21H,10H2,1-2H3/b15-9+
InChIKey UEXHQNQCFIQPKR-OQLLNIDSSA-N
Mol Weight 350.37 g/mol
Molecular Formula C20H18N2O4
Exact Mass 350.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcwghQ8Fs7s
Name 3-((5-methoxy-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 C20H18N2O4
InChI InChI=1S/C20H18N2O4/c1-13(23)15(9-14-5-3-4-6-20(14)22(24)25)10-16-12-21-19-8-7-17(26-2)11-18(16)19/h3-9,11-12,21H,10H2,1-2H3/b15-9+
InChIKey UEXHQNQCFIQPKR-OQLLNIDSSA-N
Literature Reference DOI 10.1021/jo301313m
Molecular Weight 350.374 g/mol
SMILES [nH]1c2c(c(c1)C\C(=C/c1c(cccc1)[N+](=O)[O-])C(=O)C)cc(cc2)OC
SPLASH splash10-052g-0695000000-5cbe2e9841013eb3c0ed
Source of Spectrum J-77-8459-3f
Synonyms (E)-3-((5-methoxy-1H-indol-3-yl)methyl)-4-(2-nitrophenyl)but-3-en-2-one
Wiley ID 1747007