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1-(o-Tolyl)-2,4-azepandione
SpectraBase Compound ID 4Gbpf1b6vqA
InChI InChI=1S/C13H15NO2/c1-10-5-2-3-7-12(10)14-8-4-6-11(15)9-13(14)16/h2-3,5,7H,4,6,8-9H2,1H3
InChIKey IBMLEUXKZVBOCM-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 ASyLOGONQok
Name 1-(o-Tolyl)-2,4-azepandione
Appearance oily
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-10-5-2-3-7-12(10)14-8-4-6-11(15)9-13(14)16/h2-3,5,7H,4,6,8-9H2,1H3
InChIKey IBMLEUXKZVBOCM-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(c(cccc1)C)N1C(CC(CCC1)=O)=O
SPLASH splash10-0a4i-9100000000-54cdf338c725fcb02cd4
Source of Spectrum Y-54-1325-14a
Wiley ID 1878155