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(E)-1-(3-(4-Nitrophenyl)acryloyl)azepan-2-one
SpectraBase Compound ID JjYlGE6TdFz
InChI InChI=1S/C15H16N2O4/c18-14-4-2-1-3-11-16(14)15(19)10-7-12-5-8-13(9-6-12)17(20)21/h5-10H,1-4,11H2/b10-7+
InChIKey JTAHCKUXWCCDSW-JXMROGBWSA-N
Mol Weight 288.3 g/mol
Molecular Formula C15H16N2O4
Exact Mass 288.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YyByf4mc3L
Name (E)-1-(3-(4-Nitrophenyl)acryloyl)azepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O4
InChI InChI=1S/C15H16N2O4/c18-14-4-2-1-3-11-16(14)15(19)10-7-12-5-8-13(9-6-12)17(20)21/h5-10H,1-4,11H2/b10-7+
InChIKey JTAHCKUXWCCDSW-JXMROGBWSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.5b00410
Molecular Weight 288.303 g/mol
SMILES c1([N+](=O)[O-])ccc(cc1)\C=C\C(=O)N1C(CCCCC1)=O
SPLASH splash10-002r-0980000000-1a3e3825850d43d16d07
Source of Spectrum AF-58-5251-15
Wiley ID 1865494