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1-(4-Chlorophenyl)-2,4-azepandione
SpectraBase Compound ID BvjSPp8uSBb
InChI InChI=1S/C12H12ClNO2/c13-9-3-5-10(6-4-9)14-7-1-2-11(15)8-12(14)16/h3-6H,1-2,7-8H2
InChIKey UQURIFJFILPFOD-UHFFFAOYSA-N
Mol Weight 237.69 g/mol
Molecular Formula C12H12ClNO2
Exact Mass 237.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2fKZEiOxnN
Name 1-(4-Chlorophenyl)-2,4-azepandione
Appearance White flacks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO2
InChI InChI=1S/C12H12ClNO2/c13-9-3-5-10(6-4-9)14-7-1-2-11(15)8-12(14)16/h3-6H,1-2,7-8H2
InChIKey UQURIFJFILPFOD-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2709
Molecular Weight 237.686 g/mol
SMILES c1(Cl)ccc(cc1)N1C(CC(CCC1)=O)=O
SPLASH splash10-001l-7900000000-a9d089322cda643025ef
Source of Spectrum Y-54-1325-8c
Wiley ID 1878159