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(E)-3-((1H-indol-3-yl)methyl)-4-(5-bromo-2-nitrophenyl)but-3-en-2-one
SpectraBase Compound ID LPYCDWne2GR
InChI InChI=1S/C19H15BrN2O3/c1-12(23)13(8-14-10-16(20)6-7-19(14)22(24)25)9-15-11-21-18-5-3-2-4-17(15)18/h2-8,10-11,21H,9H2,1H3/b13-8+
InChIKey WLEPTFPJICFPPK-MDWZMJQESA-N
Mol Weight 399.24 g/mol
Molecular Formula C19H15BrN2O3
Exact Mass 398.026605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fhi8ag6rdAa
Name (E)-3-((1H-indol-3-yl)methyl)-4-(5-bromo-2-nitrophenyl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15BrN2O3
InChI InChI=1S/C19H15BrN2O3/c1-12(23)13(8-14-10-16(20)6-7-19(14)22(24)25)9-15-11-21-18-5-3-2-4-17(15)18/h2-8,10-11,21H,9H2,1H3/b13-8+
InChIKey WLEPTFPJICFPPK-MDWZMJQESA-N
Literature Reference DOI 10.1021/jo301313m
Molecular Weight 399.244 g/mol
SMILES [nH]1cc(c2c1cccc2)C\C(=C/c1c(ccc(c1)Br)[N+](=O)[O-])C(=O)C
SPLASH splash10-000i-0109200000-ab9a47e9cbebbcc19c4d
Source of Spectrum J-77-8460-3m
Synonyms (E)-4-(5-bromo-2-nitrophenyl)-3-(1H-indol-3-ylmethyl)-3-buten-2-one (E)-4-(5-bromo-2-nitrophenyl)-3-(1H-indol-3-ylmethyl)but-3-en-2-one (E)-4-(5-bromanyl-2-nitro-phenyl)-3-(1H-indol-3-ylmethyl)but-3-en-2-one
Wiley ID 1747014