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3-(4-Nitrobenzylidene)pentane-2,4-dione
SpectraBase Compound ID EZGdYNlPlz4
InChI InChI=1S/C12H11NO4/c1-8(14)12(9(2)15)7-10-3-5-11(6-4-10)13(16)17/h3-7H,1-2H3
InChIKey YZFGYWARVCXNKL-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpCfVDcTZNZ
Name 3-(4-nitrobenzylidene)pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-8(14)12(9(2)15)7-10-3-5-11(6-4-10)13(16)17/h3-7H,1-2H3
InChIKey YZFGYWARVCXNKL-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2014 or Shimadzu GC-MS QP 2010
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200473
Molecular Weight 233.223 g/mol
SMILES c1([N+](=O)[O-])ccc(cc1)C=C(C(C)=O)C(C)=O
SPLASH splash10-016r-2930000000-b671a24d3cde8a025504
Source of Spectrum AJO-11-SM16-3e-f
Wiley ID 1880163