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3-Ethoxy-2-[(4-nitrophenyl)sulfanyl]-1-phenylprop-2-en-1-one
SpectraBase Compound ID L7my98erMV0
InChI InChI=1S/C17H15NO4S/c1-2-22-12-16(17(19)13-6-4-3-5-7-13)23-15-10-8-14(9-11-15)18(20)21/h3-12H,2H2,1H3
InChIKey HJZKVKCWKLSRNM-UHFFFAOYSA-N
Mol Weight 329.37 g/mol
Molecular Formula C17H15NO4S
Exact Mass 329.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5urvHZRC8r9
Name 3-Ethoxy-2-[(4-nitrophenyl)sulfanyl]-1-phenylprop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO4S
InChI InChI=1S/C17H15NO4S/c1-2-22-12-16(17(19)13-6-4-3-5-7-13)23-15-10-8-14(9-11-15)18(20)21/h3-12H,2H2,1H3
InChIKey HJZKVKCWKLSRNM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900393
Molecular Weight 329.370 g/mol
SMILES C(=O)(c1ccccc1)C(Sc1ccc(cc1)[N+](=O)[O-])=COCC
SPLASH splash10-0a6r-2907000000-5c36ccabd2321659c756
Source of Spectrum H-93-1616-3d
Synonyms 3-Ethoxy-2-((4-nitrophenyl)thio)-1-phenylprop-2-en-1-one
Wiley ID 1784048