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1-(p-Tolyl)-2,4-azepandione
SpectraBase Compound ID 6PWFtKhjrSr
InChI InChI=1S/C13H15NO2/c1-10-4-6-11(7-5-10)14-8-2-3-12(15)9-13(14)16/h4-7H,2-3,8-9H2,1H3
InChIKey ATGOAHRFZGZNNX-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJHihjgLTvQ
Name 1-(p-Tolyl)-2,4-azepandione
Appearance White flacks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-10-4-6-11(7-5-10)14-8-2-3-12(15)9-13(14)16/h4-7H,2-3,8-9H2,1H3
InChIKey ATGOAHRFZGZNNX-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2709
Molecular Weight 217.268 g/mol
SMILES c1(ccc(cc1)C)N1C(CC(CCC1)=O)=O
SPLASH splash10-0uyi-9610000000-2d822f6c855bfdace4a8
Source of Spectrum Y-54-1325-8b
Wiley ID 1878158