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4-(2'-Aminobenzoyl)but-3-enal
SpectraBase Compound ID 6FqAQtl6DkB
InChI InChI=1S/C11H11NO2/c12-10-6-2-1-5-9(10)11(14)7-3-4-8-13/h1-3,5-8H,4,12H2/b7-3+
InChIKey QSWMGMOJHQMOIZ-XVNBXDOJSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3lG8Tzu3el
Name 4-(2'-Aminobenzoyl)but-3-enal
Alternate Name(s) (3E)-5-(2-aminophenyl)-5-oxo-3-pentenal 4-(2'-Aminobenzoyl)butyraldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c12-10-6-2-1-5-9(10)11(14)7-3-4-8-13/h1-3,5-8H,4,12H2/b7-3+
InChIKey QSWMGMOJHQMOIZ-XVNBXDOJSA-N
Molecular Weight 189.214 g/mol
SMILES Nc1c(C(\C=C\CC=O)=O)cccc1
SPLASH splash10-01bi-5900000000-7d1a475e17d2809015e1
Source of Spectrum ES-30-580-2
Wiley ID 813446