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7-[(Z)-3-anilinoprop-2-enoyl]-7-methyl-azepan-2-one
SpectraBase Compound ID 9MSVZS7KGz6
InChI InChI=1S/C16H20N2O2/c1-16(11-6-5-9-15(20)18-16)14(19)10-12-17-13-7-3-2-4-8-13/h2-4,7-8,10,12,17H,5-6,9,11H2,1H3,(H,18,20)/b12-10-
InChIKey JYNNKRFVTTXENA-BENRWUELSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Vs51mzWpGR
Name 7-[(Z)-3-anilinoprop-2-enoyl]-7-methyl-azepan-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-16(11-6-5-9-15(20)18-16)14(19)10-12-17-13-7-3-2-4-8-13/h2-4,7-8,10,12,17H,5-6,9,11H2,1H3,(H,18,20)/b12-10-
InChIKey JYNNKRFVTTXENA-BENRWUELSA-N
Instrument Name VG Analytical 7070
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.726
Molecular Weight 272.348 g/mol
Quality 69
SMILES N1C(C(\C=C/NC2=CC=CC=C2)=O)(CCCCC1=O)C
SPLASH splash10-004i-0910000000-95cd06b1e3a9fde9bf84
Source of Spectrum ARK-2003-324-22 (DOI: 10.3998/ark.5550190.0004.726)
Wiley ID 1901077