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2,4-Pentanedione, 3-[(4-nitrophenyl)methyl]-
SpectraBase Compound ID 4PLRLhE8s2I
InChI InChI=1S/C12H13NO4/c1-8(14)12(9(2)15)7-10-3-5-11(6-4-10)13(16)17/h3-6,12H,7H2,1-2H3
InChIKey YCJNFFOGCABIHE-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILqSYgIA3po
Name 2,4-Pentanedione, 3-[(4-nitrophenyl)methyl]-
Alternate Name(s) 3-(4-nitrobenzyl)pentane-2,4-dione 3-[(4-nitrophenyl)methyl]pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-8(14)12(9(2)15)7-10-3-5-11(6-4-10)13(16)17/h3-6,12H,7H2,1-2H3
InChIKey YCJNFFOGCABIHE-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES CC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)C(C)=O
SPLASH splash10-0006-7930000000-0c0eae4971b9e294de6e
Source of Spectrum JX-2015-1-39
Wiley ID 1720903