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3-Methyl-1-(4-nitrophenyl)butane-1,2-dione
SpectraBase Compound ID 7SKgdyI9BNI
InChI InChI=1S/C11H11NO4/c1-7(2)10(13)11(14)8-3-5-9(6-4-8)12(15)16/h3-7H,1-2H3
InChIKey IICYGJQYAHQGPJ-UHFFFAOYSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96nADeLQHC
Name 3-Methyl-1-(4-nitrophenyl)butane-1,2-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c1-7(2)10(13)11(14)8-3-5-9(6-4-8)12(15)16/h3-7H,1-2H3
InChIKey IICYGJQYAHQGPJ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c5ra03772g
Molecular Weight 221.212 g/mol
SMILES c1c(C(C(=O)C(C)C)=O)ccc(c1)[N+](=O)[O-]
SPLASH splash10-0fdo-9400000000-a5d05b975f5feb586182
Source of Spectrum RSA-5-36652/SM-5je
Wiley ID 1761419