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1-(2-Chlorophenyl)-2,4-azepandione
SpectraBase Compound ID 1XaDE1is6a5
InChI InChI=1S/C12H12ClNO2/c13-10-5-1-2-6-11(10)14-7-3-4-9(15)8-12(14)16/h1-2,5-6H,3-4,7-8H2
InChIKey NPTPIYITCFXNIR-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 A2KuVY6dDfr
Name 1-(2-Chlorophenyl)-2,4-azepandione
Appearance oily
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO2
InChI InChI=1S/C12H12ClNO2/c13-10-5-1-2-6-11(10)14-7-3-4-9(15)8-12(14)16/h1-2,5-6H,3-4,7-8H2
InChIKey NPTPIYITCFXNIR-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)c(cccc1)N1C(CC(CCC1)=O)=O
SPLASH splash10-0006-1900000000-d0b0c3996330c1909dab
Source of Spectrum Y-54-1325-14b
Wiley ID 1878156